CID 24212832

N-benzyl-3-(2-chloro-3-methoxyphenyl)propanamide

Structural Information

Molecular Formula
C17H18ClNO2
SMILES
COC1=CC=CC(=C1Cl)CCC(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C17H18ClNO2/c1-21-15-9-5-8-14(17(15)18)10-11-16(20)19-12-13-6-3-2-4-7-13/h2-9H,10-12H2,1H3,(H,19,20)
InChIKey
WIOMMZWJDUEWKF-UHFFFAOYSA-N
Compound name
N-benzyl-3-(2-chloro-3-methoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1026 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10988 170.3
[M+Na]+ 326.09182 184.8
[M+NH4]+ 321.13642 178.7
[M+K]+ 342.06576 175.9
[M-H]- 302.09532 175.3
[M+Na-2H]- 324.07727 179.2
[M]+ 303.10205 174.2
[M]- 303.10315 174.2
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.