CID 394904

Nsc698996

Structural Information

Molecular Formula
C9H10N4O4S3
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N
InChI
InChI=1S/C9H10N4O4S3/c1-6-2-4-7(5-3-6)20(16,17)13-8-11-12-9(18-8)19(10,14)15/h2-5H,1H3,(H,11,13)(H2,10,14,15)
InChIKey
FNICBGZPBTURDA-UHFFFAOYSA-N
Compound name
5-[(4-methylphenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

333.98642 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.99370 174.3
[M+Na]+ 356.97564 183.8
[M-H]- 332.97914 177.4
[M+NH4]+ 352.02024 186.4
[M+K]+ 372.94958 176.3
[M+H-H2O]+ 316.98368 167.7
[M+HCOO]- 378.98462 181.6
[M+CH3COO]- 393.00027 203.6
[M+Na-2H]- 354.96109 177.9
[M]+ 333.98587 175.3
[M]- 333.98697 175.3
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.