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

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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-methoxybenzamide

ID: Reference9285

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-methoxy-;
NAT13-368656

Formula: C27H29BrN4O2

Spectral Data

N-({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-4-methoxybenzamide 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 370
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/15/2020 2:09:40 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C27H29BrN4O2/c1-17-30-25(22-5-3-4-6-24(22)28)14-26(31-17)23-16-32-12-11-19(23)13-20(32)15-29-27(33)18-7-9-21(34-2)10-8-18/h3-10,14,19-20,23H,11-13,15-16H2,1-2H3,(H,29,33)/t19-,20+,23-/m0/s1
InChI Key XUCKDTSQPPWAGH-MZKRTTBSSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)C4=CC=C(C=C4)OC)C5=CC=CC=C5Br
CAS
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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-methoxy-;
NAT13-368656

In Other Databases

PubChem 40777117
ChemSpider 21382055