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
1
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 166.7
[M+Na]+ 342.95998 174.0
[M+NH4]+ 338.00458 171.8
[M+K]+ 358.93392 168.1
[M-H]- 318.96348 167.0
[M+Na-2H]- 340.94543 170.7
[M]+ 319.97021 168.8
[M]- 319.97131 168.8
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