Molecule

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

Chemical Information

26 Related Dataset(s) ⌄

13C nuclear magnetic resonance spectroscopy (13C NMR)

1H nuclear magnetic resonance spectroscopy (1H NMR)

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

1H--15N heteronuclear multiple bond coherence (15N-1H HMBC)

1H--1H correlation spectroscopy (1H-1H COSY)

1H--1H nuclear Overhauser enhancement spectroscopy (1H-1H NOESY)

Quinine.aptjmod

Quinine; LC-ESI-QFT; MS2; CE: 15; R=17500; [M+H]+

Quinine; LC-ESI-QFT; MS2; CE: 30; R=17500; [M+H]+

Quinine; LC-ESI-QFT; MS2; CE: 45; R=17500; [M+H]+

Quinine; LC-ESI-QFT; MS2; CE: 60; R=17500; [M+H]+

Quinine; LC-ESI-QFT; MS2; CE: 75; R=17500; [M+H]+

Quinine; LC-ESI-QFT; MS2; CE: 90; R=17500; [M+H]+

Quinine; MALDI-TOFTOF; MS2; CE: 20kV; [M+H]+

Quinine[1]

Quinine[2]

Quinine[3]

Quinine[4]

Quinine[5]

Quinine[6]

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol1149
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
DB00468	drugbank
CHEBI:15854	chebi
QI9	rcsb_pdb
CHEMBL170	chembl
27031	surechembl
27032	surechembl
3034034	pubchem
A7V27PHC7A	fdasrs
QI9 - Ideal conformer	pdbe
PD010011	probes_and_drugs
BOMDUC	CCDC
2219	brenda
229837	brenda
229838	brenda
HMDB0014611	hmdb
Molport-000-146-082	molport
4523	drugcentral
50367247	bindingdb
The data in this table is sourced from UniChem at EBI.