CID 18794

Benzolamide

Structural Information

Molecular Formula
C8H8N4O4S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N
InChI
InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
InChIKey
PWDGTQXZLNDOKS-UHFFFAOYSA-N
Compound name
5-(benzenesulfonamido)-1,3,4-thiadiazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

169
References

336
Patents

319.97076 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.97804 170.2
[M+Na]+ 342.95998 179.6
[M-H]- 318.96348 173.3
[M+NH4]+ 338.00458 182.7
[M+K]+ 358.93392 172.3
[M+H-H2O]+ 302.96802 163.7
[M+HCOO]- 364.96896 178.0
[M+CH3COO]- 378.98461 199.6
[M+Na-2H]- 340.94543 174.8
[M]+ 319.97021 170.6
[M]- 319.97131 170.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe