CID 720623

N-(4-acetylphenyl)-2-(4-chloro-2-methylphenoxy)acetamide

Structural Information

Molecular Formula
C17H16ClNO3
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=C(C=C2)C(=O)C
InChI
InChI=1S/C17H16ClNO3/c1-11-9-14(18)5-8-16(11)22-10-17(21)19-15-6-3-13(4-7-15)12(2)20/h3-9H,10H2,1-2H3,(H,19,21)
InChIKey
XRNXRYYPIWPBSA-UHFFFAOYSA-N
Compound name
N-(4-acetylphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.08188 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.089156 171.2
[M+Na]+ 340.071098 179.1
[M-H]- 316.074604 178.2
[M+NH4]+ 335.115703 186.3
[M+K]+ 356.045038 174.4
[M+H-H2O]+ 300.079140 164.2
[M+HCOO]- 362.080081 190.2
[M+CH3COO]- 376.095731 208.7
[M+Na-2H]- 338.056546 173.1
[M]+ 317.08133142 175.8
[M]- 317.08242858 175.8
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.