1-(2-Methoxyphenyl)-3-[(1R,9S)-6-oxo-11-(2-pyridinylcarbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea
10513
Reference
1-(2-Methoxyphenyl)-3-[(1R,9S)-6-oxo-11-(2-pyridinylcarbonyl)-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)-6-oxo-11-(pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea
ID: Reference10513
Other Names: NAT11-292252
Formula: C25H25N5O4
Spectral Data
1-(2-Methoxyphenyl)-3-[(1R,9S)-6-oxo-11-(2-pyridinylcarbonyl)-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 | 2 |
| No. of Spectra | 2369 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 6/4/2021 11:06:44 AM |
Identificators
| InChI | InChI=1S/C25H25N5O4/c1-34-22-8-3-2-6-18(22)27-25(33)28-20-9-10-21-17-12-16(14-30(21)24(20)32)13-29(15-17)23(31)19-7-4-5-11-26-19/h2-11,16-17H,12-15H2,1H3,(H2,27,28,33)/t16-,17+/m0/s1 |
| InChI Key | YBJDWTHVMWKXLP-DLBZAZTESA-N |
| Canonical SMILES | COC1=CC=CC=C1NC(=O)NC2=CC=C3C4CC(CN(C4)C(=O)C5=CC=CC=N5)CN3C2=O |
| CAS | |
| Splash | |
| Other Names | NAT11-292252 |