N-{[(2R,4S,5R)-5-{6-[4-(Dimethylamino)phenyl]-2-methyl-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-2-ethylbutanamide
11536
Reference
N-{[(2R,4S,5R)-5-{6-[4-(Dimethylamino)phenyl]-2-methyl-4-pyrimidinyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-2-ethylbutanamide 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-ethylbutanamide
ID: Reference11536
Other Names: NAT13-343172
Formula: C27H39N5O
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-ethylbutanamide 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 | 1743 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/6/2022 2:12:20 PM |
Identificators
| InChI | InChI=1S/C27H39N5O/c1-6-19(7-2)27(33)28-16-23-14-21-12-13-32(23)17-24(21)26-15-25(29-18(3)30-26)20-8-10-22(11-9-20)31(4)5/h8-11,15,19,21,23-24H,6-7,12-14,16-17H2,1-5H3,(H,28,33)/t21-,23+,24-/m0/s1 |
| InChI Key | RFMCULBPMVFAAA-QTJGBDASSA-N |
| Canonical SMILES | CCC(CC)C(=O)NCC1CC2CCN1CC2C3=NC(=NC(=C3)C4=CC=C(C=C4)N(C)C)C |
| CAS | |
| Splash | |
| Other Names | NAT13-343172 |