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

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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]methanesulfonamide

ID: Reference9289

Other Names: Methanesulfonamide, N-[[(2R,4S,5R)-5-[2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-368914

Formula: C21H25F3N4O2S

Spectral Data

N-{[(2R,4S,5R)-5-{2-Methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}methanesulfonamide 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 1347
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/16/2020 8:02:42 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H25F3N4O2S/c1-13-26-19(14-3-5-16(6-4-14)21(22,23)24)10-20(27-13)18-12-28-8-7-15(18)9-17(28)11-25-31(2,29)30/h3-6,10,15,17-18,25H,7-9,11-12H2,1-2H3/t15-,17+,18-/m0/s1
InChI Key OKZJGZYRKRAXHX-JQHSSLGASA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNS(=O)(=O)C)C4=CC=C(C=C4)C(F)(F)F
CAS
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Other Names Methanesulfonamide, N-[[(2R,4S,5R)-5-[2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-368914

In Other Databases

PubChem 40777169
ChemSpider 21382097