ACCESSION: MSBNK-EPA-ENTACT_AGILENT000963
RECORD_TITLE: CP-409092; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: CP-409092
CH$NAME: DTXSID2047276
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₁₉N₃O₂
CH$EXACT_MASS: 297.1477268729
CH$SMILES: CNCC1C=CC(=CC=1)NC(=O)C1=CNC2CCCC(=O)C=21
CH$IUPAC: InChI=1S/C17H19N3O2/c1-18-9-11-5-7-12(8-6-11)20-17(22)13-10-19-14-3-2-4-15(21)16(13)14/h5-8,10,18-19H,2-4,9H2,1H3,(H,20,22)
CH$LINK: CAS 194098-25-4
CH$LINK: INCHIKEY XFJIYNUISLDNLP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:9839190

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 298.1550033246
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-066r-0590000000-9c16686c57bf2b8c72a2
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  106.065126 50.36691 503
  137.107325 1.443465 14
  162.054955 13.343448 133
  193.097154 1.024246 10
  267.112804 99.999998 999
  280.144439 2.790602 27
  298.155003 9.650274 96
//