Dataset

Thioridazine (oxide); LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA000638 contains the MS mass spectrum of Thioridazine (oxide) with the InChIkey KLBQZWRITKRQQV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
SMILES CSc(c4)cc(c(c4)1)N(CCC(C3)N(C)CCC3)c(c2)c(ccc2)S1
InChI Key KLBQZWRITKRQQV-UHFFFAOYSA-N
Molecular Formula C21H26N2S2
Exact Mass 370.154 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-WA000638
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 10-[2-(1-methylpiperidin-2-yl)ethyl]-2-methylsulfanylphenothiazine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00679 drugbank
    CHEBI:9566 chebi
    CHEMBL479 chembl
    12434241 surechembl
    29384252 surechembl
    9566 surechembl
    5452 pubchem
    N3D6TG58NI fdasrs
    100 gtopdb
    PD009853 probes_and_drugs
    6096 brenda
    HMDB0014817 hmdb
    DTXSID6023656 comptox
    NCT01765803 clinicaltrials
    NCT02096289 clinicaltrials
    NCT02307396 clinicaltrials
    NCT02374567 clinicaltrials
    Molport-006-110-071 molport
    2637 drugcentral
    50002338 bindingdb
    The data in this table is sourced from UniChem at EBI.