(12aR)-8-Bromo-2-(3-pyridinylcarbonyl)-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione
8789
Reference
(12aR)-8-Bromo-2-(3-pyridinylcarbonyl)-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione Structure
Systematic / IUPAC Name: (4aR)-9-Bromo-3-(pyridine-3-carbonyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione
ID: Reference8789
Other Names: NAT9-273060
Formula: C18H15BrN4O3
Spectral Data
(12aR)-8-Bromo-2-(3-pyridinylcarbonyl)-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione 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 FAIMS |
| No. of Spectral Trees | 2 |
| No. of Spectra | 3670 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/28/2024 12:59:02 PM |
Identificators
| InChI | InChI=1S/C18H15BrN4O3/c19-12-3-4-14-13(8-12)18(26)23-7-6-22(10-15(23)16(24)21-14)17(25)11-2-1-5-20-9-11/h1-5,8-9,15H,6-7,10H2,(H,21,24)/t15-/m1/s1 |
| InChI Key | XCNMNNLDCRCSHK-OAHLLOKOSA-N |
| Canonical SMILES | C1CN2C(CN1C(=O)C3=CN=CC=C3)C(=O)NC4=C(C2=O)C=C(C=C4)Br |
| CAS | |
| Splash | |
| Other Names | NAT9-273060 |