CID 45050987

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

Structural Information

Molecular Formula
C18H20ClNO3
SMILES
CCOC1=CC=CC=C1NC(=O)CCC2=CC(=C(C=C2)OC)Cl
InChI
InChI=1S/C18H20ClNO3/c1-3-23-17-7-5-4-6-15(17)20-18(21)11-9-13-8-10-16(22-2)14(19)12-13/h4-8,10,12H,3,9,11H2,1-2H3,(H,20,21)
InChIKey
YWPQLCHNBZDCRG-UHFFFAOYSA-N
Compound name
3-(3-chloro-4-methoxyphenyl)-N-(2-ethoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.11316 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.12044 177.3
[M+Na]+ 356.10238 184.7
[M-H]- 332.10588 183.8
[M+NH4]+ 351.14698 191.8
[M+K]+ 372.07632 179.8
[M+H-H2O]+ 316.11042 169.7
[M+HCOO]- 378.11136 196.6
[M+CH3COO]- 392.12701 211.5
[M+Na-2H]- 354.08783 179.7
[M]+ 333.11261 183.4
[M]- 333.11371 183.4
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.