Spectrum CCMSLIB00000078644 for Methyclothiazide

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
135-07-9
C9H11Cl2N3O4S2
358.956803192
O=S(=O)(N)C=1C=C2C(=CC1Cl)NC(N(C)S2(=O)=O)CCl
InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)
CESYKOGBSMNBPD-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
358.957
1
Plate10_21_40_GC2_01_15744.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
4.394636650494813
0.9000235357012022
359.964
[M+H]+
2.147970352582272 ppm
-7.73191999996925E-4 Da