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

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

ID: Reference9151

Other Names: Carbamic acid, N-(4-acetylphenyl)-, [(2R,4S,5R)-5-[6-(4-methoxyphenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-339990

Formula: C29H32N4O4

Spectral Data

{(2R,4S,5R)-5-[6-(4-Methoxyphenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl (4-acetylphenyl)carbamate 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 2
No. of Spectra 2458
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/25/2019 7:00:44 AM
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Identificators

InChI InChI=1S/C29H32N4O4/c1-18(34)20-4-8-23(9-5-20)32-29(35)37-17-24-14-22-12-13-33(24)16-26(22)28-15-27(30-19(2)31-28)21-6-10-25(36-3)11-7-21/h4-11,15,22,24,26H,12-14,16-17H2,1-3H3,(H,32,35)/t22-,24+,26-/m0/s1
InChI Key IGVFERQHIOCLMV-FBILRYNDSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3COC(=O)NC4=CC=C(C=C4)C(=O)C)C5=CC=C(C=C5)OC
CAS
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Other Names Carbamic acid, N-(4-acetylphenyl)-, [(2R,4S,5R)-5-[6-(4-methoxyphenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl ester;
NAT13-339990

In Other Databases

ChemSpider 21381779
PubChem 40776827