N-({(2R,4S,5R)-5-[6-(4-Fluorophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-1-phenylmethanesulfonamide

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

ID: Reference9279

Other Names: Benzenemethanesulfonamide, N-[[(2R,4S,5R)-5-[6-(4-fluorophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-341035

Formula: C26H29FN4O2S

Spectral Data

N-({(2R,4S,5R)-5-[6-(4-Fluorophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-1-phenylmethanesulfonamide 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 1054
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 1/14/2020 10:48:19 AM
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Identificators

InChI InChI=1S/C26H29FN4O2S/c1-18-29-25(20-7-9-22(27)10-8-20)14-26(30-18)24-16-31-12-11-21(24)13-23(31)15-28-34(32,33)17-19-5-3-2-4-6-19/h2-10,14,21,23-24,28H,11-13,15-17H2,1H3/t21-,23+,24-/m0/s1
InChI Key RTLDHSRUBWRCBD-QTJGBDASSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNS(=O)(=O)CC4=CC=CC=C4)C5=CC=C(C=C5)F
CAS
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Other Names Benzenemethanesulfonamide, N-[[(2R,4S,5R)-5-[6-(4-fluorophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-341035

In Other Databases

PubChem 40776929
ChemSpider 21381846