CID 4347

N-benzyl-4-sulfamoyl-benzamide

Structural Information

Molecular Formula
C14H14N2O3S
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
InChIKey
CZKNSZUJCJHTTM-UHFFFAOYSA-N
Compound name
N-benzyl-4-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

103
Patents

290.0725 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.079776 163.8
[M+Na]+ 313.061718 170.3
[M-H]- 289.065224 170.0
[M+NH4]+ 308.106323 178.4
[M+K]+ 329.035658 165.7
[M+H-H2O]+ 273.069760 156.1
[M+HCOO]- 335.070701 182.9
[M+CH3COO]- 349.086351 200.7
[M+Na-2H]- 311.047166 168.1
[M]+ 290.07195142 163.9
[M]- 290.07304858 163.9
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