(2S,5aS,8aR)-1-Methyl-6-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-[3-oxo-3-(1-pyrrolidinyl)propyl]octahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one
13007
Reference
(2S,5aS,8aR)-1-Methyl-6-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-[3-oxo-3-(1-pyrrolidinyl)propyl]octahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one Structure
Systematic / IUPAC Name: (2S,5aS,8aR)-1-Methyl-6-[(1-methylbenzimidazol-2-yl)methyl]-2-(3-oxo-3-pyrrolidin-1-ylpropyl)-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-E][1,4]diazepin-5-one
ID: Reference13007
Other Names: NAT23-390850
Formula: C24H34N6O2
Spectral Data
(2S,5aS,8aR)-1-Methyl-6-[(1-methyl-1H-benzimidazol-2-yl)methyl]-2-[3-oxo-3-(1-pyrrolidinyl)propyl]octahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one 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 | 1638 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/13/2024 9:00:36 AM |
Identificators
| InChI | InChI=1S/C24H34N6O2/c1-27-17(9-10-22(31)29-12-5-6-13-29)15-25-24(32)23-20(27)11-14-30(23)16-21-26-18-7-3-4-8-19(18)28(21)2/h3-4,7-8,17,20,23H,5-6,9-16H2,1-2H3,(H,25,32)/t17-,20+,23-/m0/s1 |
| InChI Key | JWQPKUNTTXYKGJ-WGGBDISSSA-N |
| Canonical SMILES | CN1C2CCN(C2C(=O)NCC1CCC(=O)N3CCCC3)CC4=NC5=CC=CC=C5N4C |
| CAS | |
| Splash | |
| Other Names | NAT23-390850 |