Dataset

Chlorprothixene; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA001577 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-WA001577
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
    CB6361448 ChemicalBook
    667467 PubChem
    PD012153 ProbesDrugs
    9S7OD60EWP FDA SRS
    SCHEMBL94235 SureChEMBL
    Chlorprothixene Selleck
    14950525 PubChem: Thomson Pharma
    CHEMBL908 ChEMBL
    50931 ChEBI
    C07953 KEGG Ligand
    50240514 BindingDB
    HY-B0274 MedChemExpress
    ZINC000000001137 ZINC
    623 DrugCentral
    J52.995H Nikkaji
    MCULE-7149047798 Mcule
    CMAPTX CCDC
    TARACTAN clinicaltrials
    CHLORPROTHIXENE clinicaltrials
    CHLORPROTHIXENE rxnorm
    DB01239 DrugBank
    The data in this table is sourced from UniChem at EBI.