Dataset

Cyclothiazide

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

Chemical Info

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
Language
MetadataCreated 2024-01-11T22:43:57.922701
MetadataModified 2025-02-09T20:27:39.576225
MetadataPublished 2016-01-19
Related Molecule