PubChemLite - Hydroquinidine (C20H26N2O2)

Structural Information

Molecular Formula

SMILES

CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](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/t13-,14-,19+,20-/m0/s1

InChIKey

LJOQGZACKSYWCH-LHHVKLHASA-N

Compound name

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

Related CIDs

2D Structure

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	177.2
[M+Na]+	349.18865	179.9
[M-H]-	325.19215	173.2
[M+NH4]+	344.23325	192.7
[M+K]+	365.16259	175.2
[M+H-H2O]+	309.19669	167.8
[M+HCOO]-	371.19763	181.4
[M+CH3COO]-	385.21328	183.5
[M+Na-2H]-	347.17410	184.1
[M]+	326.19888	178.2
[M]-	326.19998	178.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

327.20671

177.2

[M+Na]+

349.18865

179.9

[M-H]-

325.19215

173.2

[M+NH4]+

344.23325

192.7

[M+K]+

365.16259

175.2

[M+H-H2O]+

309.19669

167.8

[M+HCOO]-

371.19763

181.4

[M+CH3COO]-

385.21328

183.5

[M+Na-2H]-

347.17410

184.1

[M]+

326.19888

178.2

[M]-

326.19998

178.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Hydroquinidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe