CID 206142

Acetamide, 2-((3-chloro(1,1'-biphenyl)-4-yl)oxy)-n-(2-(diethylamino)ethyl)-, monohydrochloride

Structural Information

Molecular Formula

C₂₀H₂₅ClN₂O₂

SMILES

CCN(CC)CCNC(=O)COC1=C(C=C(C=C1)C2=CC=CC=C2)Cl

InChI

InChI=1S/C20H25ClN2O2/c1-3-23(4-2)13-12-22-20(24)15-25-19-11-10-17(14-18(19)21)16-8-6-5-7-9-16/h5-11,14H,3-4,12-13,15H2,1-2H3,(H,22,24)

InChIKey

HMXIMANEHWPRFG-UHFFFAOYSA-N

Compound name

2-(2-chloro-4-phenylphenoxy)-N-[2-(diethylamino)ethyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 360.16046 Da
Monoisotopic Mass: 4.3
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]+	361.167736	188.3
[M+Na]+	383.149678	193.2
[M-H]-	359.153184	195.3
[M+NH4]+	378.194283	201.7
[M+K]+	399.123618	188.5
[M+H-H2O]+	343.157720	179.6
[M+HCOO]-	405.158661	208.2
[M+CH3COO]-	419.174311	222.5
[M+Na-2H]-	381.135126	189.8
[M]+	360.15991142	193.8
[M]-	360.16100858	193.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.