CID 19204075

N-(3-chloro-2-methylphenyl)-2-(3-methoxyphenoxy)acetamide

Structural Information

Molecular Formula
C16H16ClNO3
SMILES
CC1=C(C=CC=C1Cl)NC(=O)COC2=CC=CC(=C2)OC
InChI
InChI=1S/C16H16ClNO3/c1-11-14(17)7-4-8-15(11)18-16(19)10-21-13-6-3-5-12(9-13)20-2/h3-9H,10H2,1-2H3,(H,18,19)
InChIKey
MZDSOYKHUXGCLD-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)-2-(3-methoxyphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.08188 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.089156 168.0
[M+Na]+ 328.071098 176.3
[M-H]- 304.074604 175.0
[M+NH4]+ 323.115703 183.7
[M+K]+ 344.045038 171.8
[M+H-H2O]+ 288.079140 160.8
[M+HCOO]- 350.080081 188.0
[M+CH3COO]- 364.095731 205.6
[M+Na-2H]- 326.056546 171.5
[M]+ 305.08133142 173.4
[M]- 305.08242858 173.4
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.