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

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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]morpholine-4-carboxamide

ID: Reference9282

Other Names: 4-Morpholinecarboxamide, N-[[(2R,4S,5R)-5-[2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-368885

Formula: C25H30F3N5O2

Spectral Data

N-{[(2R,4S,5R)-5-{2-Methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-4-morpholinecarboxamide 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 1048
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 1/15/2020 2:02:59 PM
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Identificators

InChI InChI=1S/C25H30F3N5O2/c1-16-30-22(17-2-4-19(5-3-17)25(26,27)28)13-23(31-16)21-15-33-7-6-18(21)12-20(33)14-29-24(34)32-8-10-35-11-9-32/h2-5,13,18,20-21H,6-12,14-15H2,1H3,(H,29,34)/t18-,20+,21-/m0/s1
InChI Key SHRCMYUPEPRMFZ-TYPHKJRUSA-N
Canonical SMILES CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)N4CCOCC4)C5=CC=C(C=C5)C(F)(F)F
CAS
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Other Names 4-Morpholinecarboxamide, N-[[(2R,4S,5R)-5-[2-methyl-6-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-368885

In Other Databases

PubChem 40777157
ChemSpider 21382090