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

1
Patents

276.05685 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.064126 159.7
[M+Na]+ 299.046068 167.4
[M-H]- 275.049574 165.9
[M+NH4]+ 294.090673 174.8
[M+K]+ 315.020008 162.7
[M+H-H2O]+ 259.054110 152.3
[M+HCOO]- 321.055051 178.4
[M+CH3COO]- 335.070701 199.1
[M+Na-2H]- 297.031516 162.7
[M]+ 276.05630142 158.9
[M]- 276.05739858 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