CID 4422372

Chembl266026

Structural Information

Molecular Formula
C13H15N3O4S2
SMILES
C1=CC(=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)N)S(=O)(=O)N
InChI
InChI=1S/C13H15N3O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9,14H2,(H2,15,17,18)
InChIKey
HHCXOFYGBAPOJR-UHFFFAOYSA-N
Compound name
4-[[(4-aminophenyl)sulfonylamino]methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

48
References

9
Patents

341.05038 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.05766 173.9
[M+Na]+ 364.03960 180.6
[M-H]- 340.04310 178.7
[M+NH4]+ 359.08420 185.7
[M+K]+ 380.01354 173.9
[M+H-H2O]+ 324.04764 165.9
[M+HCOO]- 386.04858 187.4
[M+CH3COO]- 400.06423 209.9
[M+Na-2H]- 362.02505 178.8
[M]+ 341.04983 173.4
[M]- 341.05093 173.4
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