CID 49955

67625-05-2

Structural Information

Molecular Formula

C₁₃H₁₈Cl₂N₂O₂

SMILES

CCN(CC)CC(=O)NC1=C(C=C(C=C1Cl)OC)Cl

InChI

InChI=1S/C13H18Cl2N2O2/c1-4-17(5-2)8-12(18)16-13-10(14)6-9(19-3)7-11(13)15/h6-7H,4-5,8H2,1-3H3,(H,16,18)

InChIKey

DXLGKNDFJFFZFM-UHFFFAOYSA-N

Compound name

N-(2,6-dichloro-4-methoxyphenyl)-2-(diethylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 304.07452 Da
Monoisotopic Mass: 3.1
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]+	305.081796	168.2
[M+Na]+	327.063738	176.3
[M-H]-	303.067244	172.7
[M+NH4]+	322.108343	185.2
[M+K]+	343.037678	172.2
[M+H-H2O]+	287.071780	163.1
[M+HCOO]-	349.072721	184.0
[M+CH3COO]-	363.088371	211.5
[M+Na-2H]-	325.049186	169.4
[M]+	304.07397142	175.2
[M]-	304.07506858	175.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.