1-(2-Methoxyphenyl)-3-[(1R,9S)-6-oxo-11-(tetrahydro-2H-pyran-4-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea
12877
Reference
1-(2-Methoxyphenyl)-3-[(1R,9S)-6-oxo-11-(tetrahydro-2H-pyran-4-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea Structure
Systematic / IUPAC Name: 1-(2-Methoxyphenyl)-3-[(1R,9S)-11-(oxan-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea
ID: Reference12877
Other Names: NAT11-303886
Formula: C24H30N4O4
Spectral Data
1-(2-Methoxyphenyl)-3-[(1R,9S)-6-oxo-11-(tetrahydro-2H-pyran-4-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea 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 | 1710 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/14/2023 9:33:54 AM |
Identificators
| InChI | InChI=1S/C24H30N4O4/c1-31-22-5-3-2-4-19(22)25-24(30)26-20-6-7-21-17-12-16(14-28(21)23(20)29)13-27(15-17)18-8-10-32-11-9-18/h2-7,16-18H,8-15H2,1H3,(H2,25,26,30)/t16-,17+/m0/s1 |
| InChI Key | BLLLXNQNEWVDSJ-DLBZAZTESA-N |
| Canonical SMILES | COC1=CC=CC=C1NC(=O)NC2=CC=C3C4CC(CN(C4)C5CCOCC5)CN3C2=O |
| CAS | |
| Splash | |
| Other Names | NAT11-303886 |