CID 806831

N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)acetamide

Structural Information

Molecular Formula
C16H16ClNO2
SMILES
CC1=CC(=C(C=C1)C)OCC(=O)NC2=CC=CC=C2Cl
InChI
InChI=1S/C16H16ClNO2/c1-11-7-8-12(2)15(9-11)20-10-16(19)18-14-6-4-3-5-13(14)17/h3-9H,10H2,1-2H3,(H,18,19)
InChIKey
SKIKZPPSJMSDLI-UHFFFAOYSA-N
Compound name
N-(2-chlorophenyl)-2-(2,5-dimethylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.08694 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.094216 165.1
[M+Na]+ 312.076158 173.6
[M-H]- 288.079664 172.1
[M+NH4]+ 307.120763 181.6
[M+K]+ 328.050098 168.5
[M+H-H2O]+ 272.084200 158.3
[M+HCOO]- 334.085141 185.0
[M+CH3COO]- 348.100791 203.5
[M+Na-2H]- 310.061606 168.6
[M]+ 289.08639142 169.2
[M]- 289.08748858 169.2
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.