CID 79790

Quinoline, 2-((3,4-dimethoxyphenethylamino)methyl)-, dihydrochloride

Structural Information

Molecular Formula

C₂₀H₂₂N₂O₂

SMILES

COC1=C(C=C(C=C1)CCNCC2=NC3=CC=CC=C3C=C2)OC

InChI

InChI=1S/C20H22N2O2/c1-23-19-10-7-15(13-20(19)24-2)11-12-21-14-17-9-8-16-5-3-4-6-18(16)22-17/h3-10,13,21H,11-12,14H2,1-2H3

InChIKey

WHQBOHYVTSHKSR-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenyl)-N-(quinolin-2-ylmethyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 322.16812 Da
Monoisotopic Mass: 3.5
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]+	323.175396	177.3
[M+Na]+	345.157338	184.3
[M-H]-	321.160844	183.2
[M+NH4]+	340.201943	190.8
[M+K]+	361.131278	179.3
[M+H-H2O]+	305.165380	167.3
[M+HCOO]-	367.166321	199.4
[M+CH3COO]-	381.181971	212.6
[M+Na-2H]-	343.142786	183.6
[M]+	322.16757142	180.8
[M]-	322.16866858	180.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.