CID 2757

Cinchonan-9-ol

Structural Information

Molecular Formula

C₁₉H₂₂N₂O

SMILES

C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O

InChI

InChI=1S/C19H22N2O/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/h2-7,9,13-14,18-19,22H,1,8,10-12H2

InChIKey

KMPWYEUPVWOPIM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 304
References: 16901
Patents: 294.17322 Da
Monoisotopic Mass: 2.7
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]+	295.18050	167.0
[M+Na]+	317.16244	169.9
[M-H]-	293.16594	163.0
[M+NH4]+	312.20704	183.6
[M+K]+	333.13638	164.0
[M+H-H2O]+	277.17048	157.8
[M+HCOO]-	339.17142	171.9
[M+CH3COO]-	353.18707	173.8
[M+Na-2H]-	315.14789	175.2
[M]+	294.17267	165.3
[M]-	294.17377	165.3

Literature stripe

literature stripe

Patent stripe

patents stripe