CID 3084884

43035-23-0

Structural Information

Molecular Formula
C13H12N2O4S
SMILES
C1=CC(=CC(=C1)N)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O
InChI
InChI=1S/C13H12N2O4S/c14-10-3-1-2-9(8-10)13(16)15-11-4-6-12(7-5-11)20(17,18)19/h1-8H,14H2,(H,15,16)(H,17,18,19)
InChIKey
WQASTRAMHCJTFP-UHFFFAOYSA-N
Compound name
4-[(3-aminobenzoyl)amino]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

292.0518 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05908 162.6
[M+Na]+ 315.04102 172.8
[M+NH4]+ 310.08562 168.6
[M+K]+ 331.01496 167.0
[M-H]- 291.04452 165.1
[M+Na-2H]- 313.02647 169.3
[M]+ 292.05125 164.9
[M]- 292.05235 164.9
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