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

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

ID: Reference9283

Other Names: Benzamide, N-[[(2R,4S,5R)-5-[6-(2-bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-4-methyl-;
NAT13-368653

Formula: C27H29BrN4O

Spectral Data

N-({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-4-methylbenzamide 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 220
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 1/15/2020 2:04:46 PM
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Identificators

InChI InChI=1S/C27H29BrN4O/c1-17-7-9-19(10-8-17)27(33)29-15-21-13-20-11-12-32(21)16-23(20)26-14-25(30-18(2)31-26)22-5-3-4-6-24(22)28/h3-10,14,20-21,23H,11-13,15-16H2,1-2H3,(H,29,33)/t20-,21+,23-/m0/s1
InChI Key IULNSGSCPKIORH-XJUOHMSHSA-N
Canonical SMILES CC1=CC=C(C=C1)C(=O)NCC2CC3CCN2CC3C4=NC(=NC(=C4)C5=CC=CC=C5Br)C
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Other Names Benzamide, N-[[(2R,4S,5R)-5-[6-(2-bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-4-methyl-;
NAT13-368653

In Other Databases

PubChem 40777111
ChemSpider 21382052