(3R,4S,6R)-N-(4-Fluorobenzyl)-6-{[4-(2-methyl-2-propanyl)-1H-1,2,3-triazol-1-yl]methyl}quinuclidine-3-carboxamide

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Systematic / IUPAC Name: (3R,4S,6R)-6-[(4-tert-Butyltriazol-1-yl)methyl]-N-[(4-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octane-3-carboxamide

ID: Reference8895

Other Names: 1-Azabicyclo[2.2.2]octane-3-carboxamide, 6-[[4-(1,1-dimethylethyl)-1H-1,2,3-triazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]-, (3R,4S,6R)-;
NAT13-309457

Formula: C22H30FN5O

Spectral Data

(3R,4S,6R)-N-(4-Fluorobenzyl)-6-{[4-(2-methyl-2-propanyl)-1H-1,2,3-triazol-1-yl]methyl}quinuclidine-3-carboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP FAIMS
No. of Spectral Trees 2
No. of Spectra 2814
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 5/4/2023 10:55:53 AM
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Identificators

InChI InChI=1S/C22H30FN5O/c1-22(2,3)20-14-28(26-25-20)12-18-10-16-8-9-27(18)13-19(16)21(29)24-11-15-4-6-17(23)7-5-15/h4-7,14,16,18-19H,8-13H2,1-3H3,(H,24,29)/t16-,18+,19-/m0/s1
InChI Key NYGLZCNUURQCNN-UHOSZYNNSA-N
Canonical SMILES CC(C)(C)C1=CN(N=N1)CC2CC3CCN2CC3C(=O)NCC4=CC=C(C=C4)F
CAS
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Other Names 1-Azabicyclo[2.2.2]octane-3-carboxamide, 6-[[4-(1,1-dimethylethyl)-1H-1,2,3-triazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]-, (3R,4S,6R)-;
NAT13-309457

In Other Databases

PubChem 11942317
ChemSpider 10116636