N-{(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]decahydro-2-naphthalenyl}-2-pyridinecarboxamide
11246
Reference
N-{(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]decahydro-2-naphthalenyl}-2-pyridinecarboxamide Structure
Systematic / IUPAC Name: N-[(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]pyridine-2-carboxamide
ID: Reference11246
Other Names: NAT5-397847
Formula: C25H37N3O4
Spectral Data
N-{(1S,2S,4aS,7S,8S,8aS)-8-Hydroxy-1,4a-dimethyl-7-[(2S)-1-(4-morpholinyl)-1-oxo-2-propanyl]decahydro-2-naphthalenyl}-2-pyridinecarboxamide 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 | 2705 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/25/2022 11:26:19 AM |
Identificators
| InChI | InChI=1S/C25H37N3O4/c1-16(24(31)28-12-14-32-15-13-28)18-7-9-25(3)10-8-19(17(2)21(25)22(18)29)27-23(30)20-6-4-5-11-26-20/h4-6,11,16-19,21-22,29H,7-10,12-15H2,1-3H3,(H,27,30)/t16-,17+,18-,19-,21+,22-,25-/m0/s1 |
| InChI Key | XIIFBTOKVDWGPQ-NMWWFTPNSA-N |
| Canonical SMILES | CC1C(CCC2(C1C(C(CC2)C(C)C(=O)N3CCOCC3)O)C)NC(=O)C4=CC=CC=N4 |
| CAS | |
| Splash | |
| Other Names | NAT5-397847 |