CID 3062241

80443-05-6

Structural Information

Molecular Formula

C₁₆H₁₉ClN₂

SMILES

C1CNCCC1CCC2=NC3=CC=CC=C3C=C2Cl

InChI

InChI=1S/C16H19ClN2/c17-14-11-13-3-1-2-4-15(13)19-16(14)6-5-12-7-9-18-10-8-12/h1-4,11-12,18H,5-10H2

InChIKey

LZVMMEZSLWACAE-UHFFFAOYSA-N

Compound name

3-chloro-2-(2-piperidin-4-ylethyl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 274.1237 Da
Monoisotopic Mass: 3.8
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]+	275.130976	163.8
[M+Na]+	297.112918	170.0
[M-H]-	273.116424	165.7
[M+NH4]+	292.157523	178.1
[M+K]+	313.086858	162.5
[M+H-H2O]+	257.120960	154.8
[M+HCOO]-	319.121901	174.0
[M+CH3COO]-	333.137551	173.1
[M+Na-2H]-	295.098366	168.4
[M]+	274.12315142	159.9
[M]-	274.12424858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe