CID 24212624

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

Structural Information

Molecular Formula
C20H24ClNO2
SMILES
CCCCC1=CC=C(C=C1)NC(=O)CCC2=CC(=C(C=C2)OC)Cl
InChI
InChI=1S/C20H24ClNO2/c1-3-4-5-15-6-10-17(11-7-15)22-20(23)13-9-16-8-12-19(24-2)18(21)14-16/h6-8,10-12,14H,3-5,9,13H2,1-2H3,(H,22,23)
InChIKey
OMZHSPZHWNKEGO-UHFFFAOYSA-N
Compound name
N-(4-butylphenyl)-3-(3-chloro-4-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]+ 346.15685 183.9
[M+Na]+ 368.13879 198.1
[M+NH4]+ 363.18339 191.8
[M+K]+ 384.11273 188.6
[M-H]- 344.14229 188.8
[M+Na-2H]- 366.12424 191.7
[M]+ 345.14902 187.7
[M]- 345.15012 187.7
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.