(1R,9S)-11-(2-Methoxybenzoyl)-3-(5-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
11038
Reference
(1R,9S)-11-(2-Methoxybenzoyl)-3-(5-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-11-(2-Methoxybenzoyl)-3-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference11038
Other Names: NAT11-288687
Formula: C23H22N4O3
Spectral Data
(1R,9S)-11-(2-Methoxybenzoyl)-3-(5-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-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 | 454 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/19/2021 11:37:38 AM |
Identificators
| InChI | InChI=1S/C23H22N4O3/c1-30-20-5-3-2-4-19(20)23(29)26-11-15-8-16(13-26)22-18(17-9-24-14-25-10-17)6-7-21(28)27(22)12-15/h2-7,9-10,14-16H,8,11-13H2,1H3/t15-,16+/m0/s1 |
| InChI Key | NUNPBCPMOIMZJF-JKSUJKDBSA-N |
| Canonical SMILES | COC1=CC=CC=C1C(=O)N2CC3CC(C2)C4=C(C=CC(=O)N4C3)C5=CN=CN=C5 |
| CAS | |
| Splash | |
| Other Names | NAT11-288687 |