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

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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]furan-2-carboxamide

ID: Reference9288

Other Names: 2-Furancarboxamide, N-[[(2R,4S,5R)-5-[2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-368894

Formula: C25H25F3N4O2

Spectral Data

N-{[(2R,4S,5R)-5-{2-Methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-2-furamide 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 312
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 1/15/2020 2:19:07 PM
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Identificators

InChI InChI=1S/C25H25F3N4O2/c1-15-30-21(16-4-6-18(7-5-16)25(26,27)28)12-22(31-15)20-14-32-9-8-17(20)11-19(32)13-29-24(33)23-3-2-10-34-23/h2-7,10,12,17,19-20H,8-9,11,13-14H2,1H3,(H,29,33)/t17-,19+,20-/m0/s1
InChI Key PBGBTPQQGZYKKA-SXLOBPIMSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)C4=CC=CO4)C5=CC=C(C=C5)C(F)(F)F
CAS
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Other Names 2-Furancarboxamide, N-[[(2R,4S,5R)-5-[2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-368894

In Other Databases

ChemSpider 21382095
PubChem 40777165