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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.09511 187.7
[M+Na]+ 402.07705 191.8
[M-H]- 378.08055 196.6
[M+NH4]+ 397.12165 198.0
[M+K]+ 418.05099 187.1
[M+H-H2O]+ 362.08509 178.5
[M+HCOO]- 424.08603 203.9
[M+CH3COO]- 438.10168 215.0
[M+Na-2H]- 400.06250 190.5
[M]+ 379.08728 188.4
[M]- 379.08838 188.4
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

No patent data available for this compound.