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]+ 346.15685 183.7
[M+Na]+ 368.13879 190.4
[M-H]- 344.14229 189.9
[M+NH4]+ 363.18339 197.8
[M+K]+ 384.11273 184.3
[M+H-H2O]+ 328.14683 175.9
[M+HCOO]- 390.14777 202.1
[M+CH3COO]- 404.16342 215.4
[M+Na-2H]- 366.12424 185.0
[M]+ 345.14902 189.1
[M]- 345.15012 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.