N-{[(2R,4S,5R)-5-{6-[4-(Dimethylamino)phenyl]-2-methyl-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-2-methoxyacetamide
11089
Reference
N-{[(2R,4S,5R)-5-{6-[4-(Dimethylamino)phenyl]-2-methyl-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-2-methoxyacetamide Structure
Systematic / IUPAC Name: N-[[(2R,4S,5R)-5-[6-[4-(Dimethylamino)phenyl]-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-2-methoxyacetamide
ID: Reference11089
Other Names: NAT13-343173
Formula: C24H33N5O2
Spectral Data
N-{[(2R,4S,5R)-5-{6-[4-(Dimethylamino)phenyl]-2-methyl-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-2-methoxyacetamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 2668 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/3/2021 12:24:41 PM |
Identificators
| InChI | InChI=1S/C24H33N5O2/c1-16-26-22(17-5-7-19(8-6-17)28(2)3)12-23(27-16)21-14-29-10-9-18(21)11-20(29)13-25-24(30)15-31-4/h5-8,12,18,20-21H,9-11,13-15H2,1-4H3,(H,25,30)/t18-,20+,21-/m0/s1 |
| InChI Key | ROUGEFYRIPTVCD-TYPHKJRUSA-N |
| Canonical SMILES | CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)COC)C4=CC=C(C=C4)N(C)C |
| CAS | |
| Splash | |
| Other Names | NAT13-343173 |