4-[({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)amino]-4-oxobutanoic acid
12425
Reference
4-[({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)amino]-4-oxobutanoic acid Structure
Systematic / IUPAC Name: 4-[[(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methylamino]-4-oxobutanoic acid
ID: Reference12425
Other Names: NAT13-368637
Formula: C23H27BrN4O3
Spectral Data
4-[({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)amino]-4-oxobutanoic acid 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 | 2880 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/6/2023 9:01:22 AM |
Identificators
| InChI | InChI=1S/C23H27BrN4O3/c1-14-26-20(17-4-2-3-5-19(17)24)11-21(27-14)18-13-28-9-8-15(18)10-16(28)12-25-22(29)6-7-23(30)31/h2-5,11,15-16,18H,6-10,12-13H2,1H3,(H,25,29)(H,30,31)/t15-,16+,18-/m0/s1 |
| InChI Key | WWQMWCABEBBCOU-JZXOWHBKSA-N |
| Canonical SMILES | CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)CCC(=O)O)C4=CC=CC=C4Br |
| CAS | |
| Splash | |
| Other Names | NAT13-368637 |