(2S,5aS,8aR)-2-[3-(4-Hydroxy-1-piperidinyl)-3-oxopropyl]-1-methyl-6-(4-methylbenzyl)octahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one
11113
Reference
(2S,5aS,8aR)-2-[3-(4-Hydroxy-1-piperidinyl)-3-oxopropyl]-1-methyl-6-(4-methylbenzyl)octahydropyrrolo[3,2-E][1,4]diazepin-5(2H)-one Structure
Systematic / IUPAC Name: (2S,5aS,8aR)-2-[3-(4-Hydroxypiperidin-1-yl)-3-oxopropyl]-1-methyl-6-[(4-methylphenyl)methyl]-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-E][1,4]diazepin-5-one
ID: Reference11113
Other Names: NAT23-391317
Formula: C24H36N4O3
Spectral Data
(2S,5aS,8aR)-2-[3-(4-Hydroxy-1-piperidinyl)-3-oxopropyl]-1-methyl-6-(4-methylbenzyl)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 | 2010 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/17/2021 12:13:24 PM |
Identificators
| InChI | InChI=1S/C24H36N4O3/c1-17-3-5-18(6-4-17)16-28-14-11-21-23(28)24(31)25-15-19(26(21)2)7-8-22(30)27-12-9-20(29)10-13-27/h3-6,19-21,23,29H,7-16H2,1-2H3,(H,25,31)/t19-,21+,23-/m0/s1 |
| InChI Key | GZHLXWRYNGXWNI-WPYKKVEZSA-N |
| Canonical SMILES | CC1=CC=C(C=C1)CN2CCC3C2C(=O)NCC(N3C)CCC(=O)N4CCC(CC4)O |
| CAS | |
| Splash | |
| Other Names | NAT23-391317 |