CID 170454899

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

Structural Information

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

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.026716 159.4
[M+Na]+ 309.008658 169.4
[M-H]- 285.012164 162.7
[M+NH4]+ 304.053263 173.7
[M+K]+ 324.982598 163.3
[M+H-H2O]+ 269.016700 152.8
[M+HCOO]- 331.017641 172.1
[M+CH3COO]- 345.033291 196.3
[M+Na-2H]- 306.994106 161.6
[M]+ 286.01889142 160.7
[M]- 286.01998858 160.7
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.