CID 24212811

3-(2-chloro-3-methoxyphenyl)-n-(4-methylphenyl)propanamide

Structural Information

Molecular Formula
C17H18ClNO2
SMILES
CC1=CC=C(C=C1)NC(=O)CCC2=C(C(=CC=C2)OC)Cl
InChI
InChI=1S/C17H18ClNO2/c1-12-6-9-14(10-7-12)19-16(20)11-8-13-4-3-5-15(21-2)17(13)18/h3-7,9-10H,8,11H2,1-2H3,(H,19,20)
InChIKey
CQZHRWYCFWDOSV-UHFFFAOYSA-N
Compound name
3-(2-chloro-3-methoxyphenyl)-N-(4-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]+ 304.109876 169.8
[M+Na]+ 326.091818 177.9
[M-H]- 302.095324 176.6
[M+NH4]+ 321.136423 185.7
[M+K]+ 342.065758 172.5
[M+H-H2O]+ 286.099860 162.7
[M+HCOO]- 348.100801 189.3
[M+CH3COO]- 362.116451 206.5
[M+Na-2H]- 324.077266 172.7
[M]+ 303.10205142 174.2
[M]- 303.10314858 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.