N-Benzyl-1-{(2R,4S,5R)-5-[6-(2-furyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methanamine

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Systematic / IUPAC Name: N-Benzyl-1-[(2R,4S,5R)-5-[6-(furan-2-yl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methanamine

ID: Reference9958

Other Names: 1-Azabicyclo[2.2.2]octane-2-methanamine, 5-[6-(2-furanyl)-2-methyl-4-pyrimidinyl]-N-(phenylmethyl)-, (2R,4S,5R)-;
NAT13-342993

Formula: C24H28N4O

Spectral Data

N-Benzyl-1-{(2R,4S,5R)-5-[6-(2-furyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}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
No. of Spectral Trees 2
No. of Spectra 1931
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 9/24/2020 6:29:40 AM
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Identificators

InChI InChI=1S/C24H28N4O/c1-17-26-22(13-23(27-17)24-8-5-11-29-24)21-16-28-10-9-19(21)12-20(28)15-25-14-18-6-3-2-4-7-18/h2-8,11,13,19-21,25H,9-10,12,14-16H2,1H3/t19-,20+,21-/m0/s1
InChI Key OCZDHSMOAFGDEB-HBMCJLEFSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNCC4=CC=CC=C4)C5=CC=CO5
CAS
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Other Names 1-Azabicyclo[2.2.2]octane-2-methanamine, 5-[6-(2-furanyl)-2-methyl-4-pyrimidinyl]-N-(phenylmethyl)-, (2R,4S,5R)-;
NAT13-342993

In Other Databases

PubChem 45783256
ChemSpider 29857279