Dataset

Cyclothiazide; LC-ESI-Q; MS; NEG; 60 V

This MassBank record with Accession MSBNK-Waters-WA002304 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-WA002304
Version
Author
Maintainer
Language
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
    2910 PubChem
    PD001015 ProbesDrugs
    SCHEMBL121096 SureChEMBL
    2259-96-3 ACToR
    LSM-4421 LINCS
    536638 eMolecules
    HMDB0014744 Human Metabolome Database
    PA449168 PharmGKB
    761 DrugCentral
    CB6123851 ChemicalBook
    50192229 BindingDB
    4167 Guide to Pharmacology
    DTXSID3022871 EPA CompTox Dashboard
    CYCLOTHIAZIDE rxnorm
    P71U09G5BW FDA SRS
    J3.702H Nikkaji
    C12685 KEGG Ligand
    CHEMBL61593 ChEMBL
    31448 ChEBI
    DB00606 DrugBank
    The data in this table is sourced from UniChem at EBI.