CID 29103

2-(o-chlorodiphenylmethoxy)-n,n-dimethylethylamine hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₀ClNO

SMILES

CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2Cl

InChI

InChI=1S/C17H20ClNO/c1-19(2)12-13-20-17(14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,17H,12-13H2,1-2H3

InChIKey

SOPBMLDYXAKIAT-UHFFFAOYSA-N

Compound name

2-[(2-chlorophenyl)-phenylmethoxy]-N,N-dimethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.12335 Da
Monoisotopic Mass: 3.9
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]+	290.130626	168.0
[M+Na]+	312.112568	174.0
[M-H]-	288.116074	175.3
[M+NH4]+	307.157173	184.5
[M+K]+	328.086508	169.8
[M+H-H2O]+	272.120610	160.3
[M+HCOO]-	334.121551	187.5
[M+CH3COO]-	348.137201	207.0
[M+Na-2H]-	310.098016	171.5
[M]+	289.12280142	172.1
[M]-	289.12389858	172.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.