(1R,9S)-5-(1-Benzothiophen-2-yl)-11-(2-pyridinylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
11013
Reference
(1R,9S)-5-(1-Benzothiophen-2-yl)-11-(2-pyridinylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-5-(1-Benzothiophen-2-yl)-11-(pyridin-2-ylmethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference11013
Other Names: NAT11-286673
Formula: C25H23N3OS
Spectral Data
(1R,9S)-5-(1-Benzothiophen-2-yl)-11-(2-pyridinylmethyl)-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 | 1954 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/12/2021 9:42:42 AM |
Identificators
| InChI | InChI=1S/C25H23N3OS/c29-25-21(24-12-18-5-1-2-7-23(18)30-24)8-9-22-19-11-17(14-28(22)25)13-27(15-19)16-20-6-3-4-10-26-20/h1-10,12,17,19H,11,13-16H2/t17-,19+/m0/s1 |
| InChI Key | CPMFUXQEZPPEGB-PKOBYXMFSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC5=CC=CC=C5S4)CC6=CC=CC=N6 |
| CAS | |
| Splash | |
| Other Names | NAT11-286673 |