CID 208448

4-amino-3-benzoylbenzenesulfonamide

Structural Information

Molecular Formula
C13H12N2O3S
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N)N
InChI
InChI=1S/C13H12N2O3S/c14-12-7-6-10(19(15,17)18)8-11(12)13(16)9-4-2-1-3-5-9/h1-8H,14H2,(H2,15,17,18)
InChIKey
UVNQEGLJYRXTJE-UHFFFAOYSA-N
Compound name
4-amino-3-benzoylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.05685 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.06413 159.7
[M+Na]+ 299.04607 167.4
[M-H]- 275.04957 165.9
[M+NH4]+ 294.09067 174.8
[M+K]+ 315.02001 162.7
[M+H-H2O]+ 259.05411 152.3
[M+HCOO]- 321.05505 178.4
[M+CH3COO]- 335.07070 199.1
[M+Na-2H]- 297.03152 162.7
[M]+ 276.05630 158.9
[M]- 276.05740 158.9
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