CID 24212908

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

Structural Information

Molecular Formula
C18H20ClNO3S
SMILES
CC(C)S(=O)(=O)C1=C(C=CC(=C1)C(=O)NC(C)C2=CC=CC=C2)Cl
InChI
InChI=1S/C18H20ClNO3S/c1-12(2)24(22,23)17-11-15(9-10-16(17)19)18(21)20-13(3)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,20,21)
InChIKey
LZQZELFDDLZMLE-UHFFFAOYSA-N
Compound name
4-chloro-N-(1-phenylethyl)-3-propan-2-ylsulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.08524 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09252 181.3
[M+Na]+ 388.07446 187.9
[M-H]- 364.07796 188.2
[M+NH4]+ 383.11906 194.7
[M+K]+ 404.04840 182.6
[M+H-H2O]+ 348.08250 174.8
[M+HCOO]- 410.08344 192.4
[M+CH3COO]- 424.09909 214.6
[M+Na-2H]- 386.05991 181.2
[M]+ 365.08469 186.3
[M]- 365.08579 186.3
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.