Dataset

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

This MassBank record with Accession MSBNK-Waters-WA002040 contains the MS mass spectrum of Pipotiazine (oxide) with the InChIkey JOMHSQGEWSNUKU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H33N3O3S2/c1-25(2)32(29,30)20-8-9-24-22(18-20)27(21-6-3-4-7-23(21)31-24)14-5-13-26-15-10-19(11-16-26)12-17-28/h3-4,6-9,18-19,28H,5,10-17H2,1-2H3
SMILES OCCC(C4)CCN(C4)CCCN(c21)c(c3)c(ccc3S(=O)(=O)N(C)C)Sc(cccc2)1
InChI Key JOMHSQGEWSNUKU-UHFFFAOYSA-N
Molecular Formula C24H33N3O3S2
Exact Mass 475.196 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-WA002040
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MetadataPublished 2016-01-19
Related Molecule
  • 10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]-N,N-dimethylphenothiazine-2-sulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL398880 ChEMBL
    DB01621 DrugBank
    DTXSID40192913 EPA CompTox Dashboard
    7557 Guide to Pharmacology
    J16.029F Nikkaji
    81798 BindingDB
    CB9875298 ChemicalBook
    PIPOTHIAZINE rxnorm
    14883233 PubChem: Thomson Pharma
    PA10158 PharmGKB
    39860-99-6 ACToR
    L903J9JPYV FDA SRS
    PD009443 ProbesDrugs
    62867 PubChem
    SCHEMBL123275 SureChEMBL
    ZINC000003813024 ZINC
    HMDB0015558 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.