Dataset

CP-642931; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+

This MassBank record with Accession MSBNK-LCSB-LU029204 contains the MS2 mass spectrum of CP-642931 with the InChIkey FTEQMUXMWCGJAF-GRYCIOLGSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H25N7O/c1-10-8-23(17-20-13(4)19-14(5)21-17)9-11(2)24(10)15-6-7-18-16(22-15)12(3)25/h6-7,10-12,25H,8-9H2,1-5H3/t10-,11+,12-/m1/s1
SMILES C[C@@H](O)C1=NC(=CC=N1)N1[C@@H](C)CN(C[C@H]1C)C1=NC(C)=NC(C)=N1
InChI Key FTEQMUXMWCGJAF-GRYCIOLGSA-N
Molecular Formula C17H25N7O
Exact Mass 343.212 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-LCSB-LU029204
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Author
Maintainer
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MetadataPublished 2020-08-19
Related Molecule
  • (1R)-1-[4-[(2S,6R)-4-(4,6-dimethyl-1,3,5-triazin-2-yl)-2,6-dimethylpiperazin-1-yl]pyrimidin-2-yl]ethanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL136680 chembl
    6293549 surechembl
    10132209 pubchem
    4Q45INJ6TQ fdasrs
    PD214903 probes_and_drugs
    163014 brenda
    Molport-047-581-514 molport
    50118711 bindingdb
    The data in this table is sourced from UniChem at EBI.