CID 214761

34164-16-4

Structural Information

Molecular Formula

C₁₃H₁₈ClNO₃

SMILES

CC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)Cl

InChI

InChI=1S/C13H18ClNO3/c1-9(14)13(16)15-7-6-10-4-5-11(17-2)12(8-10)18-3/h4-5,8-9H,6-7H2,1-3H3,(H,15,16)

InChIKey

MMWIZVNHBDQQKM-UHFFFAOYSA-N

Compound name

2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 271.09753 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	272.104806	160.4
[M+Na]+	294.086748	167.6
[M-H]-	270.090254	164.0
[M+NH4]+	289.131353	177.7
[M+K]+	310.060688	164.7
[M+H-H2O]+	254.094790	154.7
[M+HCOO]-	316.095731	179.1
[M+CH3COO]-	330.111381	200.6
[M+Na-2H]-	292.072196	162.5
[M]+	271.09698142	166.2
[M]-	271.09807858	166.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.