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

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

ID: Reference8820

Other Names: NAT13-309365;
1-Azabicyclo[2.2.2]octane-3-carboxamide, 6-[[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]methyl]-N-2-thiazolyl-, (3R,6R)-

Formula: C21H24N6O2S

Spectral Data

(3R,6R)-6-{[4-(Phenoxymethyl)-1H-1,2,3-triazol-1-yl]methyl}-N-(1,3-thiazol-2-yl)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 3520
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 3/28/2024 1:21:24 PM
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Identificators

InChI InChI=1S/C21H24N6O2S/c28-20(23-21-22-7-9-30-21)19-13-26-8-6-15(19)10-17(26)12-27-11-16(24-25-27)14-29-18-4-2-1-3-5-18/h1-5,7,9,11,15,17,19H,6,8,10,12-14H2,(H,22,23,28)/t15?,17-,19+/m1/s1
InChI Key VYPAKJLQBQVCDY-IMNIMJDZSA-N
Canonical SMILES C1CN2CC(C1CC2CN3C=C(N=N3)COC4=CC=CC=C4)C(=O)NC5=NC=CS5
CAS
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Other Names NAT13-309365;
1-Azabicyclo[2.2.2]octane-3-carboxamide, 6-[[4-(phenoxymethyl)-1H-1,2,3-triazol-1-yl]methyl]-N-2-thiazolyl-, (3R,6R)-

In Other Databases

PubChem 44716030
ChemSpider 21380419