CID 20190641

5-methyl-1,3,4-thiadiazole-2-sulfonamide

Structural Information

Molecular Formula
C3H5N3O2S2
SMILES
CC1=NN=C(S1)S(=O)(=O)N
InChI
InChI=1S/C3H5N3O2S2/c1-2-5-6-3(9-2)10(4,7)8/h1H3,(H2,4,7,8)
InChIKey
HKBSUNZHTGPQNV-UHFFFAOYSA-N
Compound name
5-methyl-1,3,4-thiadiazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

178.98232 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.98960 133.2
[M+Na]+ 201.97154 144.4
[M-H]- 177.97504 134.7
[M+NH4]+ 197.01614 152.8
[M+K]+ 217.94548 141.0
[M+H-H2O]+ 161.97958 127.6
[M+HCOO]- 223.98052 146.4
[M+CH3COO]- 237.99617 175.6
[M+Na-2H]- 199.95699 135.3
[M]+ 178.98177 135.1
[M]- 178.98287 135.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe