4-(Dimethylamino)-N-{[(2R,4S,5S)-5-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}benzamide
12370
Reference
4-(Dimethylamino)-N-{[(2R,4S,5S)-5-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}benzamide Structure
Systematic / IUPAC Name: 4-(Dimethylamino)-N-[[(2R,4S,5S)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzamide
ID: Reference12370
Other Names: NAT13-339767
Formula: C26H37N7O
Spectral Data
4-(Dimethylamino)-N-{[(2R,4S,5S)-5-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}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 | 703 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/17/2023 12:45:56 PM |
Identificators
| InChI | InChI=1S/C26H37N7O/c1-30(2)23-6-4-20(5-7-23)25(34)29-17-24-16-21-8-11-33(24)19-22(21)18-31-12-14-32(15-13-31)26-27-9-3-10-28-26/h3-7,9-10,21-22,24H,8,11-19H2,1-2H3,(H,29,34)/t21-,22-,24+/m0/s1 |
| InChI Key | LPQSHEIPQPGGRY-WPFOTENUSA-N |
| Canonical SMILES | CN(C)C1=CC=C(C=C1)C(=O)NCC2CC3CCN2CC3CN4CCN(CC4)C5=NC=CC=N5 |
| CAS | |
| Splash | |
| Other Names | NAT13-339767 |