Molecule

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

Chemical Information

Molecular Image

InChI	InChI=1S/C20H24N2O2/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/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3
SMILES	COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O
InChI Key	LOUPRKONTZGTKE-UHFFFAOYSA-N
Exact Mass	324.184 g/mol

23 Related Dataset(s) ⌄

Outreach_4_2_quinine_standard_05_31_2024[1]

Quinidine anhydrous; LC-ESI-QTOF; MS2; CE: 10eV; R=5000; [M+H]+

quinidine; LC-ESI-ITFT; MS2; CE: 0.3; [M+H]+

quinidine; LC-ESI-QFT; MS2; CE: 15,30,45 (NCE); [M+ACN+2H]2+

quinidine; LC-ESI-QFT; MS2; CE: 15,30,45 (NCE); [M+Cl]-

quinidine; LC-ESI-QFT; MS2; CE: 15,30,45 (NCE); [M+H]+

Quinidine; LC-ESI-QTOF; MS2

Quinine; LC-APCI-QTOF; MS; POSITIVE

Quinine; LC-ESI-QFT; MS2; CE: 120%; R=17500; [M+H]+

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

Quinine; LC-ESI-QFT; MS2; CE: 150%; R=17500; [M+H]+

Quinine; LC-ESI-QFT; MS2; CE: 180%; 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; LC-ESI-QTOF; MS2; CE 10 ev; [M+H]+

Quinine; LC-ESI-QTOF; MS2; CE 20 ev; [M+H]+

Quinine; LC-ESI-QTOF; MS2; CE 40 ev; [M+H]+

Quinine; LC-ESI-QTOF; MS; NEGATIVE

Quinine; LC-ESI-QTOF; MS; POSITIVE

SI_Outreach_4_2_quinine_standard_05_31_2024[1]

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol68002
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEBI:94416	chebi
CHEMBL15088	chembl
25528	surechembl
29645229	surechembl
1065	pubchem
2342	gtopdb
2510	gtopdb
PD055477	probes_and_drugs
QUINDE	CCDC
HMDB0242153	hmdb
DTXSID40903283	comptox
Molport-001-766-747	molport
The data in this table is sourced from UniChem at EBI.