CID 3062243

80443-07-8

Structural Information

Molecular Formula

C₁₆H₁₉ClN₂

SMILES

C1CC(CNC1)CCC2=C(C=NC3=CC=CC=C32)Cl

InChI

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

InChIKey

IGJLTOQNHJAOAG-UHFFFAOYSA-N

Compound name

3-chloro-4-(2-piperidin-3-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