(12aR)-2-Benzoyl-8-[3-(trifluoromethyl)phenyl]-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione
12497
Reference
(12aR)-2-Benzoyl-8-[3-(trifluoromethyl)phenyl]-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione Structure
Systematic / IUPAC Name: (4aR)-3-Benzoyl-9-[3-(trifluoromethyl)phenyl]-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione
ID: Reference12497
Other Names: NAT9-273003
Formula: C26H20F3N3O3
Spectral Data
(12aR)-2-Benzoyl-8-[3-(trifluoromethyl)phenyl]-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 | 1620 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/27/2023 2:31:51 PM |
Identificators
| InChI | InChI=1S/C26H20F3N3O3/c27-26(28,29)19-8-4-7-17(13-19)18-9-10-21-20(14-18)25(35)32-12-11-31(15-22(32)23(33)30-21)24(34)16-5-2-1-3-6-16/h1-10,13-14,22H,11-12,15H2,(H,30,33)/t22-/m1/s1 |
| InChI Key | NFIDINZFLQIJSH-JOCHJYFZSA-N |
| Canonical SMILES | C1CN2C(CN1C(=O)C3=CC=CC=C3)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC(=CC=C5)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT9-273003 |