Dataset

N-Desmethylclozapine; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA000916 contains the MS mass spectrum of N-Desmethylclozapine with the InChIkey JNNOSTQEZICQQP-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
SMILES Clc(c4)cc(N=1)c(c4)Nc(c3)c(ccc3)C1N(C2)CCNC2
InChI Key JNNOSTQEZICQQP-UHFFFAOYSA-N
Molecular Formula C17H17ClN4
Exact Mass 312.114 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000916
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB05766 drugbank
    CHEBI:64050 chebi
    CHEMBL845 chembl
    29360816 surechembl
    29365906 surechembl
    30416482 surechembl
    781423 surechembl
    135409468 pubchem
    1I9001LWY8 fdasrs
    PD021872 probes_and_drugs
    80133 brenda
    HMDB0060536 hmdb
    Molport-003-846-355 molport
    50122054 bindingdb
    The data in this table is sourced from UniChem at EBI.