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

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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]cyclopropanecarboxamide

ID: Reference10097

Other Names: Cyclopropanecarboxamide, N-[[(2R,4S,5R)-5-[6-(2-bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-368655

Formula: C23H27BrN4O

Spectral Data

N-({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)cyclopropanecarboxamide 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 3142
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 11/27/2020 12:27:21 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C23H27BrN4O/c1-14-26-21(18-4-2-3-5-20(18)24)11-22(27-14)19-13-28-9-8-16(19)10-17(28)12-25-23(29)15-6-7-15/h2-5,11,15-17,19H,6-10,12-13H2,1H3,(H,25,29)/t16-,17+,19-/m0/s1
InChI Key VNZQWOHFFHUGDM-SCTDSRPQSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)C4CC4)C5=CC=CC=C5Br
CAS
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Other Names Cyclopropanecarboxamide, N-[[(2R,4S,5R)-5-[6-(2-bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-368655

In Other Databases

PubChem 40777115
ChemSpider 21382054