Dataset

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

This MassBank record with Accession MSBNK-Waters-WA002179 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-WA002179
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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
    HMDB0015546 Human Metabolome Database
    50193 Brenda
    4747 PubChem
    PD009450 ProbesDrugs
    3405M6FD73 FDA SRS
    14803709 PubChem: Thomson Pharma
    LSM-24971 LINCS
    2622-26-6 ACToR
    SCHEMBL148422 SureChEMBL
    36759202 eMolecules
    J3.392H Nikkaji
    50346422 BindingDB
    PERICIAZINE clinicaltrials
    HY-14263 MedChemExpress
    DTXSID5045910 EPA CompTox Dashboard
    PERICIAZINE rxnorm
    9216 Guide to Pharmacology
    2107 DrugCentral
    ZINC000000538159 ZINC
    CB3162774 ChemicalBook
    PA164781043 PharmGKB
    DB01608 DrugBank
    CHEMBL251940 ChEMBL
    31981 ChEBI
    The data in this table is sourced from UniChem at EBI.