CID 209688

20168-84-7

Structural Information

Molecular Formula

C₁₇H₂₂ClN₃O

SMILES

C1CN(CCC1CNC2=C3C=CC(=CC3=NC=C2)Cl)CCO

InChI

InChI=1S/C17H22ClN3O/c18-14-1-2-15-16(3-6-19-17(15)11-14)20-12-13-4-7-21(8-5-13)9-10-22/h1-3,6,11,13,22H,4-5,7-10,12H2,(H,19,20)

InChIKey

RPTRFRHMUDHZGK-UHFFFAOYSA-N

Compound name

2-[4-[[(7-chloroquinolin-4-yl)amino]methyl]piperidin-1-yl]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 319.14514 Da
Monoisotopic Mass: 3.0
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]+	320.152416	174.7
[M+Na]+	342.134358	180.5
[M-H]-	318.137864	176.8
[M+NH4]+	337.178963	187.1
[M+K]+	358.108298	173.4
[M+H-H2O]+	302.142400	165.4
[M+HCOO]-	364.143341	185.9
[M+CH3COO]-	378.158991	183.3
[M+Na-2H]-	340.119806	178.8
[M]+	319.14459142	172.5
[M]-	319.14568858	172.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe