(1R,9R)-11-(Phenylsulfonyl)-3-(3-pyridinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
11988
Reference
(1R,9R)-11-(Phenylsulfonyl)-3-(3-pyridinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9R)-11-(Benzenesulfonyl)-3-pyridin-3-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference11988
Other Names: NAT11-288599
Formula: C22H21N3O3S
Spectral Data
(1R,9R)-11-(Phenylsulfonyl)-3-(3-pyridinyl)-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 | 2048 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/25/2022 5:04:49 PM |
Identificators
| InChI | InChI=1S/C22H21N3O3S/c26-21-9-8-20(17-5-4-10-23-12-17)22-18-11-16(14-25(21)22)13-24(15-18)29(27,28)19-6-2-1-3-7-19/h1-10,12,16,18H,11,13-15H2/t16-,18+/m0/s1 |
| InChI Key | BNCGCIDMRDSRCO-FUHWJXTLSA-N |
| Canonical SMILES | C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CN=CC=C4)S(=O)(=O)C5=CC=CC=C5 |
| CAS | |
| Splash | |
| Other Names | NAT11-288599 |