N-({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-4-(2-methyl-2-propanyl)benzamide
12428
Reference
N-({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-4-(2-methyl-2-propanyl)benzamide Structure
Systematic / IUPAC Name: N-[[(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-4-tert-butylbenzamide
ID: Reference12428
Other Names: NAT13-368662
Formula: C30H35BrN4O
Spectral Data
N-({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-4-(2-methyl-2-propanyl)benzamide 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 | 2530 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/6/2023 10:12:06 AM |
Identificators
| InChI | InChI=1S/C30H35BrN4O/c1-19-33-27(24-7-5-6-8-26(24)31)16-28(34-19)25-18-35-14-13-21(25)15-23(35)17-32-29(36)20-9-11-22(12-10-20)30(2,3)4/h5-12,16,21,23,25H,13-15,17-18H2,1-4H3,(H,32,36)/t21-,23+,25-/m0/s1 |
| InChI Key | YAYPAFQGHRPXAT-PWWKTKHKSA-N |
| Canonical SMILES | CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)C4=CC=C(C=C4)C(C)(C)C)C5=CC=CC=C5Br |
| CAS | |
| Splash | |
| Other Names | NAT13-368662 |