CID 4592665

2-[(4-chlorophenyl)sulfanyl]-n-(4-phenoxyphenyl)acetamide

Structural Information

Molecular Formula

C₂₀H₁₆ClNO₂S

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClNO2S/c21-15-6-12-19(13-7-15)25-14-20(23)22-16-8-10-18(11-9-16)24-17-4-2-1-3-5-17/h1-13H,14H2,(H,22,23)

InChIKey

IMDTUHNSYXJACH-UHFFFAOYSA-N

Compound name

2-(4-chlorophenyl)sulfanyl-N-(4-phenoxyphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 369.05902 Da
Monoisotopic Mass: 5.5
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]+	370.066296	183.6
[M+Na]+	392.048238	190.9
[M-H]-	368.051744	193.1
[M+NH4]+	387.092843	196.6
[M+K]+	408.022178	183.6
[M+H-H2O]+	352.056280	175.3
[M+HCOO]-	414.057221	198.4
[M+CH3COO]-	428.072871	194.0
[M+Na-2H]-	390.033686	186.0
[M]+	369.05847142	188.2
[M]-	369.05956858	188.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.