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 183.6
[M+Na]+ 392.04824 190.9
[M-H]- 368.05174 193.1
[M+NH4]+ 387.09284 196.6
[M+K]+ 408.02218 183.6
[M+H-H2O]+ 352.05628 175.3
[M+HCOO]- 414.05722 198.4
[M+CH3COO]- 428.07287 194.0
[M+Na-2H]- 390.03369 186.0
[M]+ 369.05847 188.2
[M]- 369.05957 188.2
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.