Dataset

Propericiazine (oxide); LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA002180 contains the MS mass spectrum of Propericiazine (oxide) with the InChIkey LUALIOATIOESLM-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C21H23N3OS/c22-15-16-6-7-21-19(14-16)24(18-4-1-2-5-20(18)26-21)11-3-10-23-12-8-17(25)9-13-23/h1-2,4-7,14,17,25H,3,8-13H2
SMILES N#Cc(c4)cc(c(c4)1)N(CCCN(C3)CCC(O)C3)c(c2)c(ccc2)S1
InChI Key LUALIOATIOESLM-UHFFFAOYSA-N
Molecular Formula C21H23N3OS
Exact Mass 365.156 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-WA002180
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 10-[3-(4-hydroxypiperidin-1-yl)propyl]phenothiazine-2-carbonitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB01608 drugbank
    CHEBI:31981 chebi
    CHEMBL251940 chembl
    148422 surechembl
    29393545 surechembl
    29433289 surechembl
    4747 pubchem
    3405M6FD73 fdasrs
    9216 gtopdb
    PD009450 probes_and_drugs
    50193 brenda
    HMDB0015546 hmdb
    DTXSID5045910 comptox
    Molport-003-981-163 molport
    2107 drugcentral
    50346422 bindingdb
    The data in this table is sourced from UniChem at EBI.