(4R,7S,8aS)-7-({[5-(Hydroxymethyl)-2-furyl]methyl}amino)-4-{3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl}hexahydropyrrolo[1,2-a]pyrazin-1(2H)-one
11781
Reference
(4R,7S,8aS)-7-({[5-(Hydroxymethyl)-2-furyl]methyl}amino)-4-{3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl}hexahydropyrrolo[1,2-a]pyrazin-1(2H)-one Structure
Systematic / IUPAC Name: (4R,7S,8aS)-7-[[5-(Hydroxymethyl)furan-2-yl]methylamino]-4-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
ID: Reference11781
Other Names: NAT23-379982
Formula: C25H34N6O4
Spectral Data
(4R,7S,8aS)-7-({[5-(Hydroxymethyl)-2-furyl]methyl}amino)-4-{3-oxo-3-[4-(2-pyridinyl)-1-piperazinyl]propyl}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 | 3037 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 9/23/2022 6:24:08 AM |
Identificators
| InChI | InChI=1S/C25H34N6O4/c32-17-21-6-5-20(35-21)15-27-18-13-22-25(34)28-14-19(31(22)16-18)4-7-24(33)30-11-9-29(10-12-30)23-3-1-2-8-26-23/h1-3,5-6,8,18-19,22,27,32H,4,7,9-17H2,(H,28,34)/t18-,19+,22-/m0/s1 |
| InChI Key | ZOZFUYYGOWRPSY-JQVVWYNYSA-N |
| Canonical SMILES | C1CN(CCN1C2=CC=CC=N2)C(=O)CCC3CNC(=O)C4N3CC(C4)NCC5=CC=C(O5)CO |
| CAS | |
| Splash | |
| Other Names | NAT23-379982 |