2,2-Dimethyl-N-{[(2R,4S,5R)-5-{2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}propanamide

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Systematic / IUPAC Name: 2,2-Dimethyl-N-[[(2R,4S,5R)-5-[2-methyl-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]propanamide

ID: Reference9284

Other Names: Propanamide, 2,2-dimethyl-N-[[(2R,4S,5R)-5-[2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-368891

Formula: C25H31F3N4O

Spectral Data

2,2-Dimethyl-N-{[(2R,4S,5R)-5-{2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}propanamide 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 602
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/15/2020 2:08:15 PM
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Identificators

InChI InChI=1S/C25H31F3N4O/c1-15-30-21(16-5-7-18(8-6-16)25(26,27)28)12-22(31-15)20-14-32-10-9-17(20)11-19(32)13-29-23(33)24(2,3)4/h5-8,12,17,19-20H,9-11,13-14H2,1-4H3,(H,29,33)/t17-,19+,20-/m0/s1
InChI Key QSTSXXHFESHPAO-SXLOBPIMSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)C(C)(C)C)C4=CC=C(C=C4)C(F)(F)F
CAS
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Other Names Propanamide, 2,2-dimethyl-N-[[(2R,4S,5R)-5-[2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-368891

In Other Databases

PubChem 40777161
ChemSpider 21382093