CID 45054356

3-(anilinosulfonyl)-4-chloro-n-(1-phenylethyl)benzamide

Structural Information

Molecular Formula
C21H19ClN2O3S
SMILES
CC(C1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)NC3=CC=CC=C3
InChI
InChI=1S/C21H19ClN2O3S/c1-15(16-8-4-2-5-9-16)23-21(25)17-12-13-19(22)20(14-17)28(26,27)24-18-10-6-3-7-11-18/h2-15,24H,1H3,(H,23,25)
InChIKey
GYGLOQJFXILQQP-UHFFFAOYSA-N
Compound name
4-chloro-N-(1-phenylethyl)-3-(phenylsulfamoyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.0805 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.08778 194.5
[M+Na]+ 437.06972 200.4
[M-H]- 413.07322 203.9
[M+NH4]+ 432.11432 204.9
[M+K]+ 453.04366 193.7
[M+H-H2O]+ 397.07776 186.1
[M+HCOO]- 459.07870 207.8
[M+CH3COO]- 473.09435 223.8
[M+Na-2H]- 435.05517 197.3
[M]+ 414.07995 197.8
[M]- 414.08105 197.8
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

No patent data available for this compound.