CID 24212814

N-(4-butylphenyl)-3-(2-chloro-3-methoxyphenyl)propanamide

Structural Information

Molecular Formula
C20H24ClNO2
SMILES
CCCCC1=CC=C(C=C1)NC(=O)CCC2=C(C(=CC=C2)OC)Cl
InChI
InChI=1S/C20H24ClNO2/c1-3-4-6-15-9-12-17(13-10-15)22-19(23)14-11-16-7-5-8-18(24-2)20(16)21/h5,7-10,12-13H,3-4,6,11,14H2,1-2H3,(H,22,23)
InChIKey
UMQYBVDQAZGOID-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-3-(2-chloro-3-methoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.14957 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.156846 183.7
[M+Na]+ 368.138788 190.4
[M-H]- 344.142294 189.9
[M+NH4]+ 363.183393 197.8
[M+K]+ 384.112728 184.3
[M+H-H2O]+ 328.146830 175.9
[M+HCOO]- 390.147771 202.1
[M+CH3COO]- 404.163421 215.4
[M+Na-2H]- 366.124236 185.0
[M]+ 345.14902142 189.1
[M]- 345.15011858 189.1
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.