CID 101711

Gnf-pf-4292

Structural Information

Molecular Formula

C₁₉H₂₄N₂O

SMILES

CCC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O

InChI

InChI=1S/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-7,9,13-14,18-19,22H,2,8,10-12H2,1H3

InChIKey

WFJNHVWTKZUUTR-UHFFFAOYSA-N

Compound name

(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 7
References: 479
Patents: 296.18887 Da
Monoisotopic Mass: 2.9
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]+	297.19615	169.1
[M+Na]+	319.17809	182.0
[M+NH4]+	314.22269	179.8
[M+K]+	335.15203	173.1
[M-H]-	295.18159	169.8
[M+Na-2H]-	317.16354	168.9
[M]+	296.18832	171.2
[M]-	296.18942	171.2

Literature stripe

literature stripe

Patent stripe

patents stripe