CID 18321046

3-(piperidin-4-yl)quinolin-2(1h)-one hydrochloride

Structural Information

Molecular Formula

C₁₄H₁₆N₂O

SMILES

C1CNCCC1C2=CC3=CC=CC=C3NC2=O

InChI

InChI=1S/C14H16N2O/c17-14-12(10-5-7-15-8-6-10)9-11-3-1-2-4-13(11)16-14/h1-4,9-10,15H,5-8H2,(H,16,17)

InChIKey

KNBOBBCYHBUEHF-UHFFFAOYSA-N

Compound name

3-piperidin-4-yl-1H-quinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 232
Patents: 228.12627 Da
Monoisotopic Mass: 1.5
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]+	229.13355	152.6
[M+Na]+	251.11549	166.6
[M+NH4]+	246.16009	161.2
[M+K]+	267.08943	158.7
[M-H]-	227.11899	156.0
[M+Na-2H]-	249.10094	159.9
[M]+	228.12572	155.5
[M]-	228.12682	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe