CID 24212818

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

Structural Information

Molecular Formula
C17H18ClNO2
SMILES
CC1=CC(=CC=C1)NC(=O)CCC2=C(C(=CC=C2)OC)Cl
InChI
InChI=1S/C17H18ClNO2/c1-12-5-3-7-14(11-12)19-16(20)10-9-13-6-4-8-15(21-2)17(13)18/h3-8,11H,9-10H2,1-2H3,(H,19,20)
InChIKey
FIAWASPMTMHRKH-UHFFFAOYSA-N
Compound name
3-(2-chloro-3-methoxyphenyl)-N-(3-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1026 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10988 169.8
[M+Na]+ 326.09182 177.9
[M-H]- 302.09532 176.6
[M+NH4]+ 321.13642 185.7
[M+K]+ 342.06576 172.5
[M+H-H2O]+ 286.09986 162.7
[M+HCOO]- 348.10080 189.3
[M+CH3COO]- 362.11645 206.5
[M+Na-2H]- 324.07727 172.7
[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.