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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.06630 184.2
[M+Na]+ 392.04824 200.4
[M+NH4]+ 387.09284 193.6
[M+K]+ 408.02218 188.3
[M-H]- 368.05174 192.1
[M+Na-2H]- 390.03369 195.9
[M]+ 369.05847 189.8
[M]- 369.05957 189.8
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.