3-{[(1R,9S)-5-(1-Benzothiophen-2-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}benzonitrile
12257
Reference
3-{[(1R,9S)-5-(1-Benzothiophen-2-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}benzonitrile Structure
Systematic / IUPAC Name: 3-[[(1R,9S)-5-(1-Benzothiophen-2-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]benzonitrile
ID: Reference12257
Other Names: NAT11-286682
Formula: C27H23N3OS
Spectral Data
3-{[(1R,9S)-5-(1-Benzothiophen-2-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl}benzonitrile 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 | 2464 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/14/2023 10:19:57 AM |
Identificators
| InChI | InChI=1S/C27H23N3OS/c28-13-18-4-3-5-19(10-18)14-29-15-20-11-22(17-29)24-9-8-23(27(31)30(24)16-20)26-12-21-6-1-2-7-25(21)32-26/h1-10,12,20,22H,11,14-17H2/t20-,22+/m0/s1 |
| InChI Key | BPYQBMWTULDTHV-RBBKRZOGSA-N |
| Canonical SMILES | C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC5=CC=CC=C5S4)CC6=CC(=CC=C6)C#N |
| CAS | |
| Splash | |
| Other Names | NAT11-286682 |