CID 202890

Siccamide

Structural Information

Molecular Formula
C8H7ClN4O4S3
SMILES
C1=CC(=CC=C1S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N)Cl
InChI
InChI=1S/C8H7ClN4O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,(H,11,13)(H2,10,14,15)
InChIKey
AJSWHUXLZRXPJL-UHFFFAOYSA-N
Compound name
5-[(4-chlorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

353.9318 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.93908 176.1
[M+Na]+ 376.92102 186.3
[M-H]- 352.92452 179.8
[M+NH4]+ 371.96562 188.3
[M+K]+ 392.89496 178.1
[M+H-H2O]+ 336.92906 170.7
[M+HCOO]- 398.93000 179.4
[M+CH3COO]- 412.94565 204.3
[M+Na-2H]- 374.90647 179.8
[M]+ 353.93125 178.4
[M]- 353.93235 178.4
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

patents stripe