(4R,7S,8aS)-7-(Benzylamino)-4-[3-(4-hydroxy-1-piperidinyl)-3-oxopropyl]hexahydropyrrolo[1,2-a]pyrazin-1(2H)-one
12993
Reference
(4R,7S,8aS)-7-(Benzylamino)-4-[3-(4-hydroxy-1-piperidinyl)-3-oxopropyl]hexahydropyrrolo[1,2-a]pyrazin-1(2H)-one Structure
Systematic / IUPAC Name: (4R,7S,8aS)-7-(Benzylamino)-4-[3-(4-hydroxypiperidin-1-yl)-3-oxopropyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
ID: Reference12993
Other Names: NAT23-380634
Formula: C22H32N4O3
Spectral Data
(4R,7S,8aS)-7-(Benzylamino)-4-[3-(4-hydroxy-1-piperidinyl)-3-oxopropyl]hexahydropyrrolo[1,2-a]pyrazin-1(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 | 1635 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/1/2024 3:21:38 PM |
Identificators
| InChI | InChI=1S/C22H32N4O3/c27-19-8-10-25(11-9-19)21(28)7-6-18-14-24-22(29)20-12-17(15-26(18)20)23-13-16-4-2-1-3-5-16/h1-5,17-20,23,27H,6-15H2,(H,24,29)/t17-,18+,20-/m0/s1 |
| InChI Key | XDWJWUGEFARBCM-NSHGMRRFSA-N |
| Canonical SMILES | C1CN(CCC1O)C(=O)CCC2CNC(=O)C3N2CC(C3)NCC4=CC=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT23-380634 |