N-{[(2R,4S,5S)-5-{[(1R,9S)-6-Oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-2-furamide
N-{[(2R,4S,5S)-5-{[(1R,9S)-6-Oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-2-furamide Structure
Systematic / IUPAC Name: N-[[(2R,4S,5S)-5-[[(1R,9S)-6-Oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]furan-2-carboxamide
ID: Reference10963
Other Names:
2-Furancarboxamide, N-[[(2R,4S,5S)-5-[[(1R,5S)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-;
NAT13-339563
Formula: C25H32N4O3
Spectral Data
N-{[(2R,4S,5S)-5-{[(1R,9S)-6-Oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-2-furamide 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 | 1985 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/22/2021 6:21:03 AM |
Identificators
| InChI | InChI=1S/C25H32N4O3/c30-24-5-1-3-22-19-9-17(13-29(22)24)12-27(14-19)15-20-16-28-7-6-18(20)10-21(28)11-26-25(31)23-4-2-8-32-23/h1-5,8,17-21H,6-7,9-16H2,(H,26,31)/t17-,18-,19+,20-,21+/m0/s1 |
| InChI Key | USGVVKAVNFJEGK-JRSUCEMESA-N |
| Canonical SMILES | C1CN2CC(C1CC2CNC(=O)C3=CC=CO3)CN4CC5CC(C4)C6=CC=CC(=O)N6C5 |
| CAS | |
| Splash | |
| Other Names |
2-Furancarboxamide, N-[[(2R,4S,5S)-5-[[(1R,5S)-1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl]-1-azabicyclo[2.2.2]oct-2-yl]methyl]-; NAT13-339563 |