CID 458893

Alpha-benzoyl-p-(phenylsulfonamido)acetanilide

Structural Information

Molecular Formula
C21H18N2O4S
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H18N2O4S/c24-20(16-7-3-1-4-8-16)15-21(25)22-17-11-13-18(14-12-17)23-28(26,27)19-9-5-2-6-10-19/h1-14,23H,15H2,(H,22,25)
InChIKey
RTMBEKYNZZGWGQ-UHFFFAOYSA-N
Compound name
N-[4-(benzenesulfonamido)phenyl]-3-oxo-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.09872 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.10600 190.9
[M+Na]+ 417.08794 195.2
[M-H]- 393.09144 199.8
[M+NH4]+ 412.13254 200.4
[M+K]+ 433.06188 189.9
[M+H-H2O]+ 377.09598 181.2
[M+HCOO]- 439.09692 208.9
[M+CH3COO]- 453.11257 220.5
[M+Na-2H]- 415.07339 194.8
[M]+ 394.09817 191.7
[M]- 394.09927 191.7
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.