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

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

ID: Reference8904

Other Names: 1-Azabicyclo[2.2.2]octane-3-carboxamide, N-cyclohexyl-6-[[4-(3-hydroxyphenyl)-1H-1,2,3-triazol-1-yl]methyl]-, (3R,4S,6R)-;
NAT13-328802

Formula: C23H31N5O2

Spectral Data

(3R,4S,6R)-N-Cyclohexyl-6-{[4-(3-hydroxyphenyl)-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 2459
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 9/5/2019 12:57:39 PM
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Identificators

InChI InChI=1S/C23H31N5O2/c29-20-8-4-5-17(12-20)22-15-28(26-25-22)13-19-11-16-9-10-27(19)14-21(16)23(30)24-18-6-2-1-3-7-18/h4-5,8,12,15-16,18-19,21,29H,1-3,6-7,9-11,13-14H2,(H,24,30)/t16-,19+,21-/m0/s1
InChI Key SADOHTXRIBEFSO-SCWSEQNSSA-N
Canonical SMILES C1CCC(CC1)NC(=O)C2CN3CCC2CC3CN4C=C(N=N4)C5=CC(=CC=C5)O
CAS
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Other Names 1-Azabicyclo[2.2.2]octane-3-carboxamide, N-cyclohexyl-6-[[4-(3-hydroxyphenyl)-1H-1,2,3-triazol-1-yl]methyl]-, (3R,4S,6R)-;
NAT13-328802

In Other Databases

PubChem 11942385
ChemSpider 10116704