(4aR,7aS)-6-Isonicotinoyl-4-(3-pyridinylmethyl)hexahydropyrrolo[3,4-b][1,4]oxazin-3(2H)-one
11910
Reference
(4aR,7aS)-6-Isonicotinoyl-4-(3-pyridinylmethyl)hexahydropyrrolo[3,4-b][1,4]oxazin-3(2H)-one Structure
Systematic / IUPAC Name: (4aR,7aS)-6-(Pyridine-4-carbonyl)-4-(pyridin-3-ylmethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
ID: Reference11910
Other Names: NAT37-510472
Formula: C18H18N4O3
Spectral Data
(4aR,7aS)-6-Isonicotinoyl-4-(3-pyridinylmethyl)hexahydropyrrolo[3,4-b][1,4]oxazin-3(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 | 360 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/4/2022 8:21:21 AM |
Identificators
| InChI | InChI=1S/C18H18N4O3/c23-17-12-25-16-11-21(18(24)14-3-6-19-7-4-14)10-15(16)22(17)9-13-2-1-5-20-8-13/h1-8,15-16H,9-12H2/t15-,16+/m1/s1 |
| InChI Key | RPDKLMXMGHMMDR-CVEARBPZSA-N |
| Canonical SMILES | C1C2C(CN1C(=O)C3=CC=NC=C3)OCC(=O)N2CC4=CN=CC=C4 |
| CAS | |
| Splash | |
| Other Names | NAT37-510472 |