1-({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-3-cyclohexylurea

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Systematic / IUPAC Name: 1-[[(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-cyclohexylurea

ID: Reference9260

Other Names: Urea, N-[[(2R,4S,5R)-5-[6-(2-bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-cyclohexyl-;
NAT13-368700

Formula: C26H34BrN5O

Spectral Data

1-({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-3-cyclohexylurea 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 275
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 1/10/2020 1:58:45 PM
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Identificators

InChI InChI=1S/C26H34BrN5O/c1-17-29-24(21-9-5-6-10-23(21)27)14-25(30-17)22-16-32-12-11-18(22)13-20(32)15-28-26(33)31-19-7-3-2-4-8-19/h5-6,9-10,14,18-20,22H,2-4,7-8,11-13,15-16H2,1H3,(H2,28,31,33)/t18-,20+,22-/m0/s1
InChI Key MEQZUMBZMWEECP-DWLFOUALSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)NC4CCCCC4)C5=CC=CC=C5Br
CAS
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Other Names Urea, N-[[(2R,4S,5R)-5-[6-(2-bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-cyclohexyl-;
NAT13-368700

In Other Databases

ChemSpider 21382075
PubChem 40777141