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

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

ID: Reference9254

Other Names: Urea, N-(3-cyanophenyl)-N'-[[(2R,4S,5R)-5-[6-(4-fluorophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-341062

Formula: C27H27FN6O

Spectral Data

1-(3-Cyanophenyl)-3-({(2R,4S,5R)-5-[6-(4-fluorophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)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 2
No. of Spectra 3822
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/20/2019 10:00:53 AM
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Identificators

InChI InChI=1S/C27H27FN6O/c1-17-31-25(19-5-7-21(28)8-6-19)13-26(32-17)24-16-34-10-9-20(24)12-23(34)15-30-27(35)33-22-4-2-3-18(11-22)14-29/h2-8,11,13,20,23-24H,9-10,12,15-16H2,1H3,(H2,30,33,35)/t20-,23+,24-/m0/s1
InChI Key DZJJHFLWXSSPDX-ZTCOLXNVSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)NC4=CC=CC(=C4)C#N)C5=CC=C(C=C5)F
CAS
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Other Names Urea, N-(3-cyanophenyl)-N'-[[(2R,4S,5R)-5-[6-(4-fluorophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-341062

In Other Databases

ChemSpider 21381848
PubChem 40777250