CID 3035589

131060-08-7

Structural Information

Molecular Formula

C₁₆H₂₀ClN₃

SMILES

C1CN(CCN1CCCCl)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C16H20ClN3/c17-8-3-9-19-10-12-20(13-11-19)16-7-6-14-4-1-2-5-15(14)18-16/h1-2,4-7H,3,8-13H2

InChIKey

SABCCZAHTZTCNO-UHFFFAOYSA-N

Compound name

2-[4-(3-chloropropyl)piperazin-1-yl]quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 77
Patents: 289.13458 Da
Monoisotopic Mass: 3.4
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]+	290.14186	168.5
[M+Na]+	312.12380	175.0
[M-H]-	288.12730	170.1
[M+NH4]+	307.16840	181.3
[M+K]+	328.09774	168.2
[M+H-H2O]+	272.13184	157.8
[M+HCOO]-	334.13278	178.7
[M+CH3COO]-	348.14843	177.5
[M+Na-2H]-	310.10925	173.3
[M]+	289.13403	166.7
[M]-	289.13513	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe