[(3R,4S,6R)-6-{[4-(2-Hydroxy-2-propanyl)-1H-1,2,3-triazol-1-yl]methyl}-1-azabicyclo[2.2.2]oct-3-yl][4-(2-methoxyphenyl)-1-piperazinyl]methanone

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Systematic / IUPAC Name: [(3R,4S,6R)-6-[[4-(2-Hydroxypropan-2-yl)triazol-1-yl]methyl]-1-azabicyclo[2.2.2]octan-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

ID: Reference8882

Other Names: Methanone, [(3R,4S,6R)-6-[[4-(1-hydroxy-1-methylethyl)-1H-1,2,3-triazol-1-yl]methyl]-1-azabicyclo[2.2.2]oct-3-yl][4-(2-methoxyphenyl)-1-piperazinyl]-;
NAT13-328847

Formula: C25H36N6O3

Spectral Data

[(3R,4S,6R)-6-{[4-(2-Hydroxy-2-propanyl)-1H-1,2,3-triazol-1-yl]methyl}-1-azabicyclo[2.2.2]oct-3-yl][4-(2-methoxyphenyl)-1-piperazinyl]methanone 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 233
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 9/2/2019 7:36:40 AM
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Identificators

InChI InChI=1S/C25H36N6O3/c1-25(2,33)23-17-31(27-26-23)15-19-14-18-8-9-30(19)16-20(18)24(32)29-12-10-28(11-13-29)21-6-4-5-7-22(21)34-3/h4-7,17-20,33H,8-16H2,1-3H3/t18-,19+,20-/m0/s1
InChI Key NZUBGKUCTBLMNM-ZCNNSNEGSA-N
Canonical SMILES CC(C)(C1=CN(N=N1)CC2CC3CCN2CC3C(=O)N4CCN(CC4)C5=CC=CC=C5OC)O
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Other Names Methanone, [(3R,4S,6R)-6-[[4-(1-hydroxy-1-methylethyl)-1H-1,2,3-triazol-1-yl]methyl]-1-azabicyclo[2.2.2]oct-3-yl][4-(2-methoxyphenyl)-1-piperazinyl]-;
NAT13-328847

In Other Databases

ChemSpider 10114226
PubChem 11939907