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

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Systematic / IUPAC Name: (3R,4S,6R)-6-[[4-(4-tert-Butylphenyl)triazol-1-yl]methyl]-N-propan-2-yl-1-azabicyclo[2.2.2]octane-3-carboxamide

ID: Reference8916

Other Names: 1-Azabicyclo[2.2.2]octane-3-carboxamide, 6-[[4-[4-(1,1-dimethylethyl)phenyl]-1H-1,2,3-triazol-1-yl]methyl]-N-(1-methylethyl)-, (3R,4S,6R)-;
NAT13-329058

Formula: C24H35N5O

Spectral Data

(3R,4S,6R)-N-Isopropyl-6-({4-[4-(2-methyl-2-propanyl)phenyl]-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 1
No. of Spectra 1971
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 9/13/2019 10:48:32 AM
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Identificators

InChI InChI=1S/C24H35N5O/c1-16(2)25-23(30)21-14-28-11-10-18(21)12-20(28)13-29-15-22(26-27-29)17-6-8-19(9-7-17)24(3,4)5/h6-9,15-16,18,20-21H,10-14H2,1-5H3,(H,25,30)/t18-,20+,21-/m0/s1
InChI Key RMWYZZGCGCVRKL-TYPHKJRUSA-N
Canonical SMILES CC(C)NC(=O)C1CN2CCC1CC2CN3C=C(N=N3)C4=CC=C(C=C4)C(C)(C)C
CAS
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Other Names 1-Azabicyclo[2.2.2]octane-3-carboxamide, 6-[[4-[4-(1,1-dimethylethyl)phenyl]-1H-1,2,3-triazol-1-yl]methyl]-N-(1-methylethyl)-, (3R,4S,6R)-;
NAT13-329058

In Other Databases

PubChem 11942591
ChemSpider 10116910