(6aS,8S)-8-Amino-2-(5-chloro-2-methoxyphenyl)-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzodiazepine-6,12(5H,6aH)-dione
12859
Reference
(6aS,8S)-8-Amino-2-(5-chloro-2-methoxyphenyl)-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzodiazepine-6,12(5H,6aH)-dione Structure
Systematic / IUPAC Name: (6aS,8S)-8-Amino-2-(5-chloro-2-methoxyphenyl)-5,6a,7,8,9,10-hexahydropyrido[2,1-c][1,4]benzodiazepine-6,12-dione
ID: Reference12859
Other Names: NAT7-329810
Formula: C20H20ClN3O3
Spectral Data
(6aS,8S)-8-Amino-2-(5-chloro-2-methoxyphenyl)-7,8,9,10-tetrahydropyrido[2,1-c][1,4]benzodiazepine-6,12(5H,6aH)-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 | 2058 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/6/2023 12:28:40 PM |
Identificators
| InChI | InChI=1S/C20H20ClN3O3/c1-27-18-5-3-12(21)9-14(18)11-2-4-16-15(8-11)20(26)24-7-6-13(22)10-17(24)19(25)23-16/h2-5,8-9,13,17H,6-7,10,22H2,1H3,(H,23,25)/t13-,17-/m0/s1 |
| InChI Key | PCBCODIWLUMJCH-GUYCJALGSA-N |
| Canonical SMILES | COC1=C(C=C(C=C1)Cl)C2=CC3=C(C=C2)NC(=O)C4CC(CCN4C3=O)N |
| CAS | |
| Splash | |
| Other Names | NAT7-329810 |