CID 45051388

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

Structural Information

Molecular Formula
C18H20ClNO3
SMILES
COC1=CC=C(C=C1)CNC(=O)CCC2=C(C(=CC=C2)OC)Cl
InChI
InChI=1S/C18H20ClNO3/c1-22-15-9-6-13(7-10-15)12-20-17(21)11-8-14-4-3-5-16(23-2)18(14)19/h3-7,9-10H,8,11-12H2,1-2H3,(H,20,21)
InChIKey
ZAOKZKHHLZLTLW-UHFFFAOYSA-N
Compound name
3-(2-chloro-3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.11316 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12044 177.5
[M+Na]+ 356.10238 191.6
[M+NH4]+ 351.14698 185.1
[M+K]+ 372.07632 183.2
[M-H]- 332.10588 182.0
[M+Na-2H]- 354.08783 185.4
[M]+ 333.11261 181.1
[M]- 333.11371 181.1
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.