1-[(2R,4S,5R)-5-(3-Cyclopentyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]-N-(4-methoxybenzyl)methanamine

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Systematic / IUPAC Name: 1-[(2R,4S,5R)-5-(5-Cyclopentyl-2-methylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine

ID: Reference9026

Other Names: 1-Azabicyclo[2.2.2]octane-2-methanamine, 5-(3-cyclopentyl-1-methyl-1H-pyrazol-5-yl)-N-[(4-methoxyphenyl)methyl]-, (2R,4S,5R)-;
NAT13-334409

Formula: C25H36N4O

Spectral Data

1-[(2R,4S,5R)-5-(3-Cyclopentyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]-N-(4-methoxybenzyl)methanamine 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 300
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2019 7:21:41 AM
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Identificators

InChI InChI=1S/C25H36N4O/c1-28-25(14-24(27-28)19-5-3-4-6-19)23-17-29-12-11-20(23)13-21(29)16-26-15-18-7-9-22(30-2)10-8-18/h7-10,14,19-21,23,26H,3-6,11-13,15-17H2,1-2H3/t20-,21+,23-/m0/s1
InChI Key XXHUOKLKDJJYGJ-XJUOHMSHSA-N
Canonical SMILES CN1C(=CC(=N1)C2CCCC2)C3CN4CCC3CC4CNCC5=CC=C(C=C5)OC
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Other Names 1-Azabicyclo[2.2.2]octane-2-methanamine, 5-(3-cyclopentyl-1-methyl-1H-pyrazol-5-yl)-N-[(4-methoxyphenyl)methyl]-, (2R,4S,5R)-;
NAT13-334409

In Other Databases

ChemSpider 21381062
PubChem 44716346