1-[(2R,4S,5R)-5-(3-Cyclohexyl-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-Cyclohexyl-2-methylpyrazol-3-yl)-1-azabicyclo[2.2.2]octan-2-yl]-N-[(4-methoxyphenyl)methyl]methanamine

ID: Reference9004

Other Names: 1-Azabicyclo[2.2.2]octane-2-methanamine, 5-(3-cyclohexyl-1-methyl-1H-pyrazol-5-yl)-N-[(4-methoxyphenyl)methyl]-, (2R,4S,5R)-;
NAT13-333689

Formula: C26H38N4O

Spectral Data

1-[(2R,4S,5R)-5-(3-Cyclohexyl-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 390
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2019 6:16:56 AM
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Identificators

InChI InChI=1S/C26H38N4O/c1-29-26(15-25(28-29)20-6-4-3-5-7-20)24-18-30-13-12-21(24)14-22(30)17-27-16-19-8-10-23(31-2)11-9-19/h8-11,15,20-22,24,27H,3-7,12-14,16-18H2,1-2H3/t21-,22+,24-/m0/s1
InChI Key DEGRUIJXWUXZBU-ZDXQCDESSA-N
Canonical SMILES CN1C(=CC(=N1)C2CCCCC2)C3CN4CCC3CC4CNCC5=CC=C(C=C5)OC
CAS
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Other Names 1-Azabicyclo[2.2.2]octane-2-methanamine, 5-(3-cyclohexyl-1-methyl-1H-pyrazol-5-yl)-N-[(4-methoxyphenyl)methyl]-, (2R,4S,5R)-;
NAT13-333689

In Other Databases

PubChem 44716338
ChemSpider 21380996