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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	443.082676	201.4
[M+Na]+	465.064618	207.6
[M-H]-	441.068124	211.0
[M+NH4]+	460.109223	210.6
[M+K]+	481.038558	201.0
[M+H-H2O]+	425.072660	192.8
[M+HCOO]-	487.073601	214.7
[M+CH3COO]-	501.089251	229.4
[M+Na-2H]-	463.050066	203.2
[M]+	442.07485142	206.1
[M]-	442.07594858	206.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.