CID 4164581

2-benzoyl-2-(phenylsulfonyl)-acetanilide

Structural Information

Molecular Formula

C₂₁H₁₇NO₄S

SMILES

C1=CC=C(C=C1)C(=O)C(C(=O)NC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H17NO4S/c23-19(16-10-4-1-5-11-16)20(21(24)22-17-12-6-2-7-13-17)27(25,26)18-14-8-3-9-15-18/h1-15,20H,(H,22,24)

InChIKey

WQOXKJJLPYRVQN-UHFFFAOYSA-N

Compound name

2-(benzenesulfonyl)-3-oxo-N,3-diphenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 379.08783 Da
Monoisotopic Mass: 4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	380.095106	187.7
[M+Na]+	402.077048	191.8
[M-H]-	378.080554	196.6
[M+NH4]+	397.121653	198.0
[M+K]+	418.050988	187.1
[M+H-H2O]+	362.085090	178.5
[M+HCOO]-	424.086031	203.9
[M+CH3COO]-	438.101681	215.0
[M+Na-2H]-	400.062496	190.5
[M]+	379.08728142	188.4
[M]-	379.08837858	188.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.