(12aR)-2-(3-Fluorobenzoyl)-8-(2-thienyl)-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione
12304
Reference
(12aR)-2-(3-Fluorobenzoyl)-8-(2-thienyl)-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione Structure
Systematic / IUPAC Name: (4aR)-3-(3-Fluorobenzoyl)-9-thiophen-2-yl-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione
ID: Reference12304
Other Names: NAT9-273019
Formula: C23H18FN3O3S
Spectral Data
(12aR)-2-(3-Fluorobenzoyl)-8-(2-thienyl)-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 |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1909 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/27/2023 12:07:18 PM |
Identificators
| InChI | InChI=1S/C23H18FN3O3S/c24-16-4-1-3-15(11-16)22(29)26-8-9-27-19(13-26)21(28)25-18-7-6-14(12-17(18)23(27)30)20-5-2-10-31-20/h1-7,10-12,19H,8-9,13H2,(H,25,28)/t19-/m1/s1 |
| InChI Key | XZAXNZALBSKDQT-LJQANCHMSA-N |
| Canonical SMILES | C1CN2C(CN1C(=O)C3=CC(=CC=C3)F)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC=CS5 |
| CAS | |
| Splash | |
| Other Names | NAT9-273019 |