CID 24212809

3-(2-chloro-3-methoxyphenyl)-n-phenylpropanamide

Structural Information

Molecular Formula
C16H16ClNO2
SMILES
COC1=CC=CC(=C1Cl)CCC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H16ClNO2/c1-20-14-9-5-6-12(16(14)17)10-11-15(19)18-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,18,19)
InChIKey
IIWWGYNMZIFJCF-UHFFFAOYSA-N
Compound name
3-(2-chloro-3-methoxyphenyl)-N-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.08694 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.094216 165.4
[M+Na]+ 312.076158 172.9
[M-H]- 288.079664 171.9
[M+NH4]+ 307.120763 181.5
[M+K]+ 328.050098 167.7
[M+H-H2O]+ 272.084200 158.2
[M+HCOO]- 334.085141 185.2
[M+CH3COO]- 348.100791 202.3
[M+Na-2H]- 310.061606 169.5
[M]+ 289.08639142 168.9
[M]- 289.08748858 168.9
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.