(12aS)-8-(1,3-Benzodioxol-5-yl)-2-(2-thienylcarbonyl)-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione
12306
Reference
(12aS)-8-(1,3-Benzodioxol-5-yl)-2-(2-thienylcarbonyl)-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione Structure
Systematic / IUPAC Name: (4aS)-9-(1,3-Benzodioxol-5-yl)-3-(thiophene-2-carbonyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione
ID: Reference12306
Other Names: NAT9-265381
Formula: C24H19N3O5S
Spectral Data
(12aS)-8-(1,3-Benzodioxol-5-yl)-2-(2-thienylcarbonyl)-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 | 2585 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/27/2023 9:22:05 AM |
Identificators
| InChI | InChI=1S/C24H19N3O5S/c28-22-18-12-26(24(30)21-2-1-9-33-21)7-8-27(18)23(29)16-10-14(3-5-17(16)25-22)15-4-6-19-20(11-15)32-13-31-19/h1-6,9-11,18H,7-8,12-13H2,(H,25,28)/t18-/m0/s1 |
| InChI Key | IUSFUKNRAXOWQC-SFHVURJKSA-N |
| Canonical SMILES | C1CN2C(CN1C(=O)C3=CC=CS3)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC6=C(C=C5)OCO6 |
| CAS | |
| Splash | |
| Other Names | NAT9-265381 |