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
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.
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 |
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 |