(2S,5aS,8aR)-1-Methyl-6-(4-methylbenzyl)-2-[3-oxo-3-(1-pyrrolidinyl)propyl]octahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one
11108
Reference
(2S,5aS,8aR)-1-Methyl-6-(4-methylbenzyl)-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-[(4-methylphenyl)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: Reference11108
Other Names: NAT23-390849
Formula: C23H34N4O2
Spectral Data
(2S,5aS,8aR)-1-Methyl-6-(4-methylbenzyl)-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 | 1810 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/10/2021 11:32:28 AM |
Identificators
| InChI | InChI=1S/C23H34N4O2/c1-17-5-7-18(8-6-17)16-27-14-11-20-22(27)23(29)24-15-19(25(20)2)9-10-21(28)26-12-3-4-13-26/h5-8,19-20,22H,3-4,9-16H2,1-2H3,(H,24,29)/t19-,20+,22-/m0/s1 |
| InChI Key | ROWRHDLDFQWCMA-VWPQPMDRSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)CN2CCC3C2C(=O)NCC(N3C)CCC(=O)N4CCCC4 |
| CAS | |
| Splash | |
| Other Names | NAT23-390849 |