(1R,9R)-11-(Phenylsulfonyl)-5-(5-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
13113
Reference
(1R,9R)-11-(Phenylsulfonyl)-5-(5-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9R)-11-(Benzenesulfonyl)-5-pyrimidin-5-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference13113
Other Names: NAT11-285042
Formula: C21H20N4O3S
Spectral Data
(1R,9R)-11-(Phenylsulfonyl)-5-(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 | 1148 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/22/2024 11:13:56 AM |
Identificators
| InChI | InChI=1S/C21H20N4O3S/c26-21-19(17-9-22-14-23-10-17)6-7-20-16-8-15(12-25(20)21)11-24(13-16)29(27,28)18-4-2-1-3-5-18/h1-7,9-10,14-16H,8,11-13H2/t15-,16+/m0/s1 |
| InChI Key | OXCGEWIXAFNBBV-JKSUJKDBSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CN=CN=C4)S(=O)(=O)C5=CC=CC=C5 |
| CAS | |
| Splash | |
| Other Names | NAT11-285042 |