CID 3044981

57962-04-6

Structural Information

Molecular Formula

C₂₃H₂₇N₃

SMILES

C1CN(CCN1CCC2=CC=CC=C2)CCC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H27N3/c1-2-6-20(7-3-1)12-14-25-16-18-26(19-17-25)15-13-22-11-10-21-8-4-5-9-23(21)24-22/h1-11H,12-19H2

InChIKey

KUIHHXDVPFEUOQ-UHFFFAOYSA-N

Compound name

2-[2-[4-(2-phenylethyl)piperazin-1-yl]ethyl]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 345.2205 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]+	346.227776	187.6
[M+Na]+	368.209718	191.5
[M-H]-	344.213224	191.8
[M+NH4]+	363.254323	196.4
[M+K]+	384.183658	183.6
[M+H-H2O]+	328.217760	174.3
[M+HCOO]-	390.218701	201.2
[M+CH3COO]-	404.234351	194.8
[M+Na-2H]-	366.195166	191.5
[M]+	345.21995142	183.1
[M]-	345.22104858	183.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe