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

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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-(3-cyanophenyl)urea

ID: Reference9252

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'-(3-cyanophenyl)-;
NAT13-368697

Formula: C27H27BrN6O

Spectral Data

1-({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-3-(3-cyanophenyl)urea 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 944
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/20/2019 9:59:14 AM
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Identificators

InChI InChI=1S/C27H27BrN6O/c1-17-31-25(22-7-2-3-8-24(22)28)13-26(32-17)23-16-34-10-9-19(23)12-21(34)15-30-27(35)33-20-6-4-5-18(11-20)14-29/h2-8,11,13,19,21,23H,9-10,12,15-16H2,1H3,(H2,30,33,35)/t19-,21+,23-/m0/s1
InChI Key NNNAURHJBVHDJK-WPYKKVEZSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)NC4=CC=CC(=C4)C#N)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'-(3-cyanophenyl)-;
NAT13-368697

In Other Databases

ChemSpider 21382073
PubChem 45360453