CID 458056

Alpha-benzoyl-p-(diphenylsulfamyl)acetanilide

Structural Information

Molecular Formula
C27H22N2O4S
SMILES
C1=CC=C(C=C1)C(=O)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C27H22N2O4S/c30-26(21-10-4-1-5-11-21)20-27(31)28-22-16-18-25(19-17-22)34(32,33)29(23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-19H,20H2,(H,28,31)
InChIKey
PXAXJJVMHOGIMO-UHFFFAOYSA-N
Compound name
N-[4-(diphenylsulfamoyl)phenyl]-3-oxo-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.13004 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.13732 211.4
[M+Na]+ 493.11926 214.2
[M-H]- 469.12276 223.9
[M+NH4]+ 488.16386 217.6
[M+K]+ 509.09320 209.2
[M+H-H2O]+ 453.12730 199.8
[M+HCOO]- 515.12824 228.9
[M+CH3COO]- 529.14389 237.3
[M+Na-2H]- 491.10471 214.5
[M]+ 470.12949 212.6
[M]- 470.13059 212.6
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.