(12aR)-8-(4-Methoxyphenyl)-2-(phenoxyacetyl)-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione
12305
Reference
(12aR)-8-(4-Methoxyphenyl)-2-(phenoxyacetyl)-1,3,4,12a-tetrahydropyrazino[2,1-c][1,4]benzodiazepine-6,12(2H,11H)-dione Structure
Systematic / IUPAC Name: (4aR)-9-(4-Methoxyphenyl)-3-(2-phenoxyacetyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione
ID: Reference12305
Other Names: NAT9-273038
Formula: C27H25N3O5
Spectral Data
(12aR)-8-(4-Methoxyphenyl)-2-(phenoxyacetyl)-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 | 3185 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/27/2023 9:30:32 AM |
Identificators
| InChI | InChI=1S/C27H25N3O5/c1-34-20-10-7-18(8-11-20)19-9-12-23-22(15-19)27(33)30-14-13-29(16-24(30)26(32)28-23)25(31)17-35-21-5-3-2-4-6-21/h2-12,15,24H,13-14,16-17H2,1H3,(H,28,32)/t24-/m1/s1 |
| InChI Key | CWQMMFVVQSWWCN-XMMPIXPASA-N |
| Canonical SMILES | COC1=CC=C(C=C1)C2=CC3=C(C=C2)NC(=O)C4CN(CCN4C3=O)C(=O)COC5=CC=CC=C5 |
| CAS | |
| Splash | |
| Other Names | NAT9-273038 |