1-({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-3-isopropylurea
12519
Reference
1-({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-3-isopropylurea Structure
Systematic / IUPAC Name: 1-[[(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methylpyrimidin-4-yl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-propan-2-ylurea
ID: Reference12519
Other Names: NAT13-368687
Formula: C23H30BrN5O
Spectral Data
1-({(2R,4S,5R)-5-[6-(2-Bromophenyl)-2-methyl-4-pyrimidinyl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-3-isopropylurea 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 | 1436 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/15/2023 10:10:17 AM |
Identificators
| InChI | InChI=1S/C23H30BrN5O/c1-14(2)26-23(30)25-12-17-10-16-8-9-29(17)13-19(16)22-11-21(27-15(3)28-22)18-6-4-5-7-20(18)24/h4-7,11,14,16-17,19H,8-10,12-13H2,1-3H3,(H2,25,26,30)/t16-,17+,19-/m0/s1 |
| InChI Key | XXPNNHIMEADUND-SCTDSRPQSA-N |
| Canonical SMILES | CC1=NC(=CC(=N1)C2CN3CCC2CC3CNC(=O)NC(C)C)C4=CC=CC=C4Br |
| CAS | |
| Splash | |
| Other Names | NAT13-368687 |