Dataset

Chlorprothixene; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA001576 contains the MS mass spectrum of Chlorprothixene with the InChIkey WSPOMRSOLSGNFJ-AUWJEWJLSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-
SMILES CN(C)CCC=C(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
InChI Key WSPOMRSOLSGNFJ-AUWJEWJLSA-N
Molecular Formula C18H18ClNS
Exact Mass 315.085 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-WA001576
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • (3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01239 drugbank
    CHEBI:50931 chebi
    CHEMBL908 chembl
    29357955 surechembl
    29626798 surechembl
    94235 surechembl
    667467 pubchem
    9S7OD60EWP fdasrs
    PD012153 probes_and_drugs
    CMAPTX CCDC
    Molport-002-590-309 molport
    623 drugcentral
    50240514 bindingdb
    The data in this table is sourced from UniChem at EBI.