N-({(2R,4S,5R)-5-[2-Methyl-6-(2-thienyl)-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-4-(trifluoromethyl)benzamide

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Systematic / IUPAC Name: N-[[(2R,4S,5R)-5-(2-Methyl-6-thiophen-2-ylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methyl]-4-(trifluoromethyl)benzamide

ID: Reference9329

Other Names: Benzamide, N-[[(2R,4S,5R)-5-[2-methyl-6-(2-thienyl)-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-4-(trifluoromethyl)-;
NAT13-342694

Formula: C25H25F3N4OS

Spectral Data

N-({(2R,4S,5R)-5-[2-Methyl-6-(2-thienyl)-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-4-(trifluoromethyl)benzamide 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 2479
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 2/3/2020 8:27:19 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H25F3N4OS/c1-15-30-21(12-22(31-15)23-3-2-10-34-23)20-14-32-9-8-17(20)11-19(32)13-29-24(33)16-4-6-18(7-5-16)25(26,27)28/h2-7,10,12,17,19-20H,8-9,11,13-14H2,1H3,(H,29,33)/t17-,19+,20-/m0/s1
InChI Key VRFGLUCSPKQQET-SXLOBPIMSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)C4=CC=C(C=C4)C(F)(F)F)C5=CC=CS5
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Other Names Benzamide, N-[[(2R,4S,5R)-5-[2-methyl-6-(2-thienyl)-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-4-(trifluoromethyl)-;
NAT13-342694

In Other Databases

ChemSpider 21381941
PubChem 40777064