{(2R,4S,5R)-5-[6-(4-Fluorophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl cyclohexylcarbamate

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

ID: Reference9303

Other Names: Carbamic acid, N-cyclohexyl-, [(2R,4S,5R)-5-[6-(4-fluorophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-340154

Formula: C26H33FN4O2

Spectral Data

{(2R,4S,5R)-5-[6-(4-Fluorophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl cyclohexylcarbamate 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 1
No. of Spectra 225
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 1/24/2020 9:52:15 AM
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Identificators

InChI InChI=1S/C26H33FN4O2/c1-17-28-24(18-7-9-20(27)10-8-18)14-25(29-17)23-15-31-12-11-19(23)13-22(31)16-33-26(32)30-21-5-3-2-4-6-21/h7-10,14,19,21-23H,2-6,11-13,15-16H2,1H3,(H,30,32)/t19-,22+,23-/m0/s1
InChI Key PQMVEYBRJZQPHF-PMOQBDJRSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3COC(=O)NC4CCCCC4)C5=CC=C(C=C5)F
CAS
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Other Names Carbamic acid, N-cyclohexyl-, [(2R,4S,5R)-5-[6-(4-fluorophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-340154

In Other Databases

PubChem 40776883
ChemSpider 21381789