Dataset

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

This MassBank record with Accession MSBNK-Waters-WA001719 contains the MS mass spectrum of Chlorproethazine with the InChIkey DBOUGBAQLIXZLV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C19H23ClN2S/c1-3-21(4-2)12-7-13-22-16-8-5-6-9-18(16)23-19-11-10-15(20)14-17(19)22/h5-6,8-11,14H,3-4,7,12-13H2,1-2H3
SMILES CCN(CC)CCCN(c21)c(c3)c(ccc(Cl)3)Sc(cccc2)1
InChI Key DBOUGBAQLIXZLV-UHFFFAOYSA-N
Molecular Formula C19H23ClN2S
Exact Mass 346.127 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-WA001719
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3-(2-chlorophenothiazin-10-yl)-N,N-diethylpropan-1-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB13382 drugbank
    CHEBI:135464 chebi
    CHEMBL52125 chembl
    149201 surechembl
    29818123 surechembl
    65750 pubchem
    960NX27Z07 fdasrs
    PD072659 probes_and_drugs
    HMDB0250133 hmdb
    619 drugcentral
    86724 bindingdb
    The data in this table is sourced from UniChem at EBI.