Dataset

Thioproperazine (oxide); LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA002163 contains the MS mass spectrum of Thioproperazine (oxide) with the InChIkey VZYCZNZBPPHOFY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C22H30N4O2S2/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25/h4-5,7-10,17H,6,11-16H2,1-3H3
SMILES CN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc3S(=O)(=O)N(C)C)Sc(cccc2)1
InChI Key VZYCZNZBPPHOFY-UHFFFAOYSA-N
Molecular Formula C22H30N4O2S2
Exact Mass 446.181 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-WA002163
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MetadataPublished 2016-01-19
Related Molecule
  • N,N-dimethyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine-2-sulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01622 drugbank
    CHEBI:59120 chebi
    CHEMBL609109 chembl
    29372322 surechembl
    29394708 surechembl
    49902 surechembl
    9429 pubchem
    PD009442 probes_and_drugs
    YJ050AQ56X fdasrs
    HMDB0015559 hmdb
    DTXSID1023655 comptox
    Molport-006-111-201 molport
    2635 drugcentral
    81793 bindingdb
    The data in this table is sourced from UniChem at EBI.