CID 24212631

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

Structural Information

Molecular Formula
C19H22ClNO2
SMILES
CC(C)C1=CC=CC=C1NC(=O)CCC2=CC(=C(C=C2)OC)Cl
InChI
InChI=1S/C19H22ClNO2/c1-13(2)15-6-4-5-7-17(15)21-19(22)11-9-14-8-10-18(23-3)16(20)12-14/h4-8,10,12-13H,9,11H2,1-3H3,(H,21,22)
InChIKey
WGVNIBBSXWURMT-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1339 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14118 178.8
[M+Na]+ 354.12312 185.7
[M-H]- 330.12662 185.3
[M+NH4]+ 349.16772 193.5
[M+K]+ 370.09706 180.4
[M+H-H2O]+ 314.13116 171.5
[M+HCOO]- 376.13210 196.7
[M+CH3COO]- 390.14775 213.3
[M+Na-2H]- 352.10857 179.5
[M]+ 331.13335 183.3
[M]- 331.13445 183.3
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.