CID 170455239

4-amino-n-(5-methyl-1-oxo-1,3,4-thiadiazol-2-yl)benzenesulfonamide

Structural Information

Molecular Formula
C9H10N4O3S2
SMILES
CC1=NN=C(S1=O)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C9H10N4O3S2/c1-6-11-12-9(17(6)14)13-18(15,16)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H,12,13)
InChIKey
NEOVHDPQVWJCPD-UHFFFAOYSA-N
Compound name
4-amino-N-(5-methyl-1-oxo-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.01944 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.026716 160.6
[M+Na]+ 309.008658 171.5
[M-H]- 285.012164 165.3
[M+NH4]+ 304.053263 175.6
[M+K]+ 324.982598 165.6
[M+H-H2O]+ 269.016700 153.7
[M+HCOO]- 331.017641 174.9
[M+CH3COO]- 345.033291 197.2
[M+Na-2H]- 306.994106 162.9
[M]+ 286.01889142 162.9
[M]- 286.01998858 162.9
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

No patent data available for this compound.