4-[({(2R,4S,5R)-5-[6-(2-Methoxyphenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)amino]-4-oxobutanoic acid
13060
Reference
4-[({(2R,4S,5R)-5-[6-(2-Methoxyphenyl)-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-Methoxyphenyl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methylamino]-4-oxobutanoic acid
ID: Reference13060
Other Names: NAT13-340762
Formula: C24H30N4O4
Spectral Data
4-[({(2R,4S,5R)-5-[6-(2-Methoxyphenyl)-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 | 1325 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/15/2024 9:21:55 AM |
Identificators
| InChI | InChI=1S/C24H30N4O4/c1-15-26-20(18-5-3-4-6-22(18)32-2)12-21(27-15)19-14-28-10-9-16(19)11-17(28)13-25-23(29)7-8-24(30)31/h3-6,12,16-17,19H,7-11,13-14H2,1-2H3,(H,25,29)(H,30,31)/t16-,17+,19-/m0/s1 |
| InChI Key | IJYVVEGXDPNJLK-SCTDSRPQSA-N |
| Canonical SMILES | CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)CCC(=O)O)C4=CC=CC=C4OC |
| CAS | |
| Splash | |
| Other Names | NAT13-340762 |