CID 3649

Hydroquinidine

Structural Information

Molecular Formula

C₂₀H₂₆N₂O₂

SMILES

CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)O

InChI

InChI=1S/C20H26N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3

InChIKey

LJOQGZACKSYWCH-UHFFFAOYSA-N

Compound name

(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 173
References: 4991
Patents: 326.19943 Da
Monoisotopic Mass: 3.1
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]+	327.20671	176.6
[M+Na]+	349.18865	189.1
[M+NH4]+	344.23325	186.6
[M+K]+	365.16259	180.7
[M-H]-	325.19215	176.8
[M+Na-2H]-	347.17410	175.5
[M]+	326.19888	178.5
[M]-	326.19998	178.5

Literature stripe

literature stripe

Patent stripe

patents stripe