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

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

ID: Reference8883

Other Names: 1-Azabicyclo[2.2.2]octane-3-carboxamide, 6-[[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]-, (3R,4S,6R)-;
NAT13-329192

Formula: C24H27FN6O

Spectral Data

(3R,4S,6R)-6-{[4-(3-Aminophenyl)-1H-1,2,3-triazol-1-yl]methyl}-N-(4-fluorobenzyl)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 2095
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 9/2/2019 7:39:23 AM
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Identificators

InChI InChI=1S/C24H27FN6O/c25-19-6-4-16(5-7-19)12-27-24(32)22-14-30-9-8-17(22)11-21(30)13-31-15-23(28-29-31)18-2-1-3-20(26)10-18/h1-7,10,15,17,21-22H,8-9,11-14,26H2,(H,27,32)/t17-,21+,22-/m0/s1
InChI Key TXXGRCSCHZRUSU-WTOYTKOKSA-N
Canonical SMILES C1CN2CC(C1CC2CN3C=C(N=N3)C4=CC(=CC=C4)N)C(=O)NCC5=CC=C(C=C5)F
CAS
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Other Names 1-Azabicyclo[2.2.2]octane-3-carboxamide, 6-[[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]methyl]-N-[(4-fluorophenyl)methyl]-, (3R,4S,6R)-;
NAT13-329192

In Other Databases

PubChem 11939943
ChemSpider 10114262