CID 458057

Alpha-(p-chlorobenzoyl)-p-(p-tolysulfonamido)acetanilide

Structural Information

Molecular Formula
C22H19ClN2O4S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)CC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H19ClN2O4S/c1-15-2-12-20(13-3-15)30(28,29)25-19-10-8-18(9-11-19)24-22(27)14-21(26)16-4-6-17(23)7-5-16/h2-13,25H,14H2,1H3,(H,24,27)
InChIKey
IQEMJLKJKOBQKU-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-oxopropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.0754 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.08268 201.4
[M+Na]+ 465.06462 207.6
[M-H]- 441.06812 211.0
[M+NH4]+ 460.10922 210.6
[M+K]+ 481.03856 201.0
[M+H-H2O]+ 425.07266 192.8
[M+HCOO]- 487.07360 214.7
[M+CH3COO]- 501.08925 229.4
[M+Na-2H]- 463.05007 203.2
[M]+ 442.07485 206.1
[M]- 442.07595 206.1
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.