CID 24212815

3-(2-chloro-3-methoxyphenyl)-n-(2-chlorophenyl)propanamide

Structural Information

Molecular Formula
C16H15Cl2NO2
SMILES
COC1=CC=CC(=C1Cl)CCC(=O)NC2=CC=CC=C2Cl
InChI
InChI=1S/C16H15Cl2NO2/c1-21-14-8-4-5-11(16(14)18)9-10-15(20)19-13-7-3-2-6-12(13)17/h2-8H,9-10H2,1H3,(H,19,20)
InChIKey
FMFHSLQJAWRRBX-UHFFFAOYSA-N
Compound name
3-(2-chloro-3-methoxyphenyl)-N-(2-chlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.04797 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.05525 171.0
[M+Na]+ 346.03719 179.9
[M-H]- 322.04069 177.1
[M+NH4]+ 341.08179 186.5
[M+K]+ 362.01113 173.4
[M+H-H2O]+ 306.04523 164.8
[M+HCOO]- 368.04617 185.7
[M+CH3COO]- 382.06182 207.7
[M+Na-2H]- 344.02264 173.7
[M]+ 323.04742 176.3
[M]- 323.04852 176.3
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.