Dataset

Chlorprothixene; LC-ESI-Q; MS; POS; 60 V

This MassBank record with Accession MSBNK-Waters-WA001578 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-WA001578
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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
    50608089 bindingdb
    50753593 bindingdb
    50812811 bindingdb
    50812878 bindingdb
    50876933 bindingdb
    50881686 bindingdb
    50881700 bindingdb
    50881727 bindingdb
    50881741 bindingdb
    50881755 bindingdb
    50881761 bindingdb
    50921851 bindingdb
    50964555 bindingdb
    50964563 bindingdb
    50964572 bindingdb
    51476066 bindingdb
    Molport-002-590-309 molport
    623 drugcentral
    The data in this table is sourced from UniChem at EBI.