CID 3024970

Quinoline, 2-(3-(dimethylamino)propoxy)-4-phenyl-, hydrochloride, hydrate

Structural Information

Molecular Formula

C₂₀H₂₂N₂O

SMILES

CN(C)CCCOC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O/c1-22(2)13-8-14-23-20-15-18(16-9-4-3-5-10-16)17-11-6-7-12-19(17)21-20/h3-7,9-12,15H,8,13-14H2,1-2H3

InChIKey

BWVMDVZNIYEOIO-UHFFFAOYSA-N

Compound name

N,N-dimethyl-3-(4-phenylquinolin-2-yl)oxypropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 306.17322 Da
Monoisotopic Mass: 4.5
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]+	307.180496	174.3
[M+Na]+	329.162438	180.6
[M-H]-	305.165944	181.2
[M+NH4]+	324.207043	188.9
[M+K]+	345.136378	176.2
[M+H-H2O]+	289.170480	164.1
[M+HCOO]-	351.171421	196.7
[M+CH3COO]-	365.187071	212.7
[M+Na-2H]-	327.147886	180.5
[M]+	306.17267142	177.2
[M]-	306.17376858	177.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.