CID 458058

Alpha-anisoyl-p-(p-tolylsulfonamido)acetanilide

Structural Information

Molecular Formula
C23H22N2O5S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)CC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C23H22N2O5S/c1-16-3-13-21(14-4-16)31(28,29)25-19-9-7-18(8-10-19)24-23(27)15-22(26)17-5-11-20(30-2)12-6-17/h3-14,25H,15H2,1-2H3,(H,24,27)
InChIKey
SXIHEDBBOZUPAS-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.12494 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.13222 202.7
[M+Na]+ 461.11416 207.3
[M-H]- 437.11766 211.9
[M+NH4]+ 456.15876 210.8
[M+K]+ 477.08810 202.7
[M+H-H2O]+ 421.12220 192.6
[M+HCOO]- 483.12314 220.1
[M+CH3COO]- 497.13879 231.2
[M+Na-2H]- 459.09961 204.7
[M]+ 438.12439 206.4
[M]- 438.12549 206.4
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.