Dataset

CP-401387; LC-ESI-QFT; MS2; CE: 75; R=17500; [M-H]-

This MassBank record with Accession MSBNK-LCSB-LU073355 contains the MS2 mass spectrum of CP-401387 with the InChIkey PRUGWHGQBHEDAX-QXONSOMPSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H29N3O2/c1-2-20-19-9-8-17(23(15-24)12-10-16(11-13-23)22(27)28)14-21(19)26(25-20)18-6-4-3-5-7-18/h8-9,14,16,18H,2-7,10-13H2,1H3,(H,27,28)/t16-,23-
SMILES CCC1=NN(C2CCCCC2)C2=C1C=CC(=C2)[C@]1(CC[C@@H](CC1)C(O)=O)C#N
InChI Key PRUGWHGQBHEDAX-QXONSOMPSA-N
Molecular Formula C23H29N3O2
Exact Mass 379.226 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-LU073355
Version
Author
Maintainer
Language
MetadataPublished 2020-08-19
Related Molecule
  • nfdi4chem-mol18416(Unknown Molecule)
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL3187161 chembl
    6181117 surechembl
    The data in this table is sourced from UniChem at EBI.