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

ID: Reference9241

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'-(4-chlorophenyl)-;
NAT13-368693

Formula: C26H27BrClN5O

Spectral Data

1-({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-3-(4-chlorophenyl)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 1172
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 12/13/2019 10:21:25 AM
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Identificators

InChI InChI=1S/C26H27BrClN5O/c1-16-30-24(21-4-2-3-5-23(21)27)13-25(31-16)22-15-33-11-10-17(22)12-20(33)14-29-26(34)32-19-8-6-18(28)7-9-19/h2-9,13,17,20,22H,10-12,14-15H2,1H3,(H2,29,32,34)/t17-,20+,22-/m0/s1
InChI Key GUCBUZFBDUQAPK-WEYGHZABSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5Br
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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'-(4-chlorophenyl)-;
NAT13-368693

In Other Databases

PubChem 40777229
ChemSpider 21382071