1-Benzyl-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-Benzyl-3-[[(2R,4S,5R)-5-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]urea

ID: Reference9317

Other Names: Urea, N-[[(2R,4S,5R)-5-[6-(4-fluorophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-(phenylmethyl)-;
NAT13-341061

Formula: C27H30FN5O

Spectral Data

1-Benzyl-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 1
No. of Spectra 1363
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 1/24/2020 11:40:54 AM
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Identificators

InChI InChI=1S/C27H30FN5O/c1-18-31-25(20-7-9-22(28)10-8-20)14-26(32-18)24-17-33-12-11-21(24)13-23(33)16-30-27(34)29-15-19-5-3-2-4-6-19/h2-10,14,21,23-24H,11-13,15-17H2,1H3,(H2,29,30,34)/t21-,23+,24-/m0/s1
InChI Key HSGNNUVRGZPADZ-QTJGBDASSA-N
Canonical SMILES
CAS
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Other Names Urea, N-[[(2R,4S,5R)-5-[6-(4-fluorophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-N'-(phenylmethyl)-;
NAT13-341061

In Other Databases

ChemSpider 21381847
PubChem 40776931