Dataset

Cyclothiazide; LC-ESI-Q; MS; NEG; 15 V, 45 V

This MassBank record with Accession MSBNK-Waters-WA000847 contains the MS mass spectrum of Cyclothiazide with the InChIkey BOCUKUHCLICSIY-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)
SMILES Clc(c4)c(cc(c43)S(=O)(=O)NC(N3)C(C1)C(C=2)CC(C2)1)S(N)(=O)=O
InChI Key BOCUKUHCLICSIY-UHFFFAOYSA-N
Molecular Formula C14H16ClN3O4S2
Exact Mass 389.027 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-WA000847
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 3-(2-bicyclo[2.2.1]hept-5-enyl)-6-chloro-1,1-dioxo-3,4-dihydro-2H-1lambda6,2,4-benzothiadiazine-7-sulfonamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00606 drugbank
    CHEBI:31448 chebi
    CHEMBL61593 chembl
    121096 surechembl
    2910 pubchem
    P71U09G5BW fdasrs
    4167 gtopdb
    PD001015 probes_and_drugs
    HMDB0014744 hmdb
    Molport-003-666-800 molport
    761 drugcentral
    50192229 bindingdb
    The data in this table is sourced from UniChem at EBI.