CID 134560

3523-95-3

Structural Information

Molecular Formula
C8H9N5O4S3
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N
InChI
InChI=1S/C8H9N5O4S3/c9-5-1-3-6(4-2-5)20(16,17)13-7-11-12-8(18-7)19(10,14)15/h1-4H,9H2,(H,11,13)(H2,10,14,15)
InChIKey
BDLSLORLEPSOGW-UHFFFAOYSA-N
Compound name
5-[(4-aminophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

57
References

53
Patents

334.98166 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.98894 171.9
[M+Na]+ 357.97088 180.7
[M-H]- 333.97438 174.3
[M+NH4]+ 353.01548 183.2
[M+K]+ 373.94482 172.8
[M+H-H2O]+ 317.97892 165.0
[M+HCOO]- 379.97986 179.6
[M+CH3COO]- 393.99551 205.5
[M+Na-2H]- 355.95633 176.4
[M]+ 334.98111 170.8
[M]- 334.98221 170.8
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