CID 3052708

Usaf lo-2

Structural Information

Molecular Formula
C12H14N4O4S3
SMILES
C1=CC(=CC=C1NSNC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N
InChI
InChI=1S/C12H14N4O4S3/c13-22(17,18)11-5-1-9(2-6-11)15-21-16-10-3-7-12(8-4-10)23(14,19)20/h1-8,15-16H,(H2,13,17,18)(H2,14,19,20)
InChIKey
ROPZPUBAWDVKOQ-UHFFFAOYSA-N
Compound name
4-[(4-sulfamoylanilino)sulfanylamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.01773 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.02501 179.0
[M+Na]+ 397.00695 184.4
[M-H]- 373.01045 181.8
[M+NH4]+ 392.05155 188.4
[M+K]+ 412.98089 175.1
[M+H-H2O]+ 357.01499 170.4
[M+HCOO]- 419.01593 187.3
[M+CH3COO]- 433.03158 217.0
[M+Na-2H]- 394.99240 185.3
[M]+ 374.01718 176.3
[M]- 374.01828 176.3
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.