CID 2389222

3-[benzyl(phenyl)sulfamoyl]benzoic acid

Structural Information

Molecular Formula
C20H17NO4S
SMILES
C1=CC=C(C=C1)CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O
InChI
InChI=1S/C20H17NO4S/c22-20(23)17-10-7-13-19(14-17)26(24,25)21(18-11-5-2-6-12-18)15-16-8-3-1-4-9-16/h1-14H,15H2,(H,22,23)
InChIKey
XDOLSWJSNIRYRU-UHFFFAOYSA-N
Compound name
3-[benzyl(phenyl)sulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2
Patents

367.08783 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.09511 184.1
[M+Na]+ 390.07705 189.6
[M-H]- 366.08055 193.5
[M+NH4]+ 385.12165 195.3
[M+K]+ 406.05099 185.1
[M+H-H2O]+ 350.08509 175.0
[M+HCOO]- 412.08603 201.5
[M+CH3COO]- 426.10168 213.8
[M+Na-2H]- 388.06250 187.8
[M]+ 367.08728 186.2
[M]- 367.08838 186.2
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