CID 263067

Mls002703388

Structural Information

Molecular Formula
C22H20N2O4S
SMILES
CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H20N2O4S/c1-24(19-10-6-3-7-11-19)29(27,28)20-14-12-18(13-15-20)23-22(26)16-21(25)17-8-4-2-5-9-17/h2-15H,16H2,1H3,(H,23,26)
InChIKey
FBYVMDKHCCEGGG-UHFFFAOYSA-N
Compound name
N-[4-[methyl(phenyl)sulfamoyl]phenyl]-3-oxo-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

408.11438 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.12166 195.5
[M+Na]+ 431.10360 199.4
[M-H]- 407.10710 205.7
[M+NH4]+ 426.14820 205.1
[M+K]+ 447.07754 195.4
[M+H-H2O]+ 391.11164 185.4
[M+HCOO]- 453.11258 213.6
[M+CH3COO]- 467.12823 226.6
[M+Na-2H]- 429.08905 198.3
[M]+ 408.11383 197.9
[M]- 408.11493 197.9
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.