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

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

ID: Reference9286

Other Names: Cyclobutanecarboxamide, N-[[(2R,4S,5R)-5-[2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-368892

Formula: C25H29F3N4O

Spectral Data

N-{[(2R,4S,5R)-5-{2-Methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}cyclobutanecarboxamide 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 988
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/15/2020 2:11:13 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H29F3N4O/c1-15-30-22(16-5-7-19(8-6-16)25(26,27)28)12-23(31-15)21-14-32-10-9-18(21)11-20(32)13-29-24(33)17-3-2-4-17/h5-8,12,17-18,20-21H,2-4,9-11,13-14H2,1H3,(H,29,33)/t18-,20+,21-/m0/s1
InChI Key LHSKHSOXHVRLAU-TYPHKJRUSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)C4CCC4)C5=CC=C(C=C5)C(F)(F)F
CAS
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Other Names Cyclobutanecarboxamide, N-[[(2R,4S,5R)-5-[2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-368892

In Other Databases

ChemSpider 21382094
PubChem 40777163