(1R,9S)-11-(1-Acetyl-4-piperidinyl)-5-(1-benzothiophen-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
10999
Reference
(1R,9S)-11-(1-Acetyl-4-piperidinyl)-5-(1-benzothiophen-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-11-(1-Acetylpiperidin-4-yl)-5-(1-benzothiophen-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference10999
Other Names: NAT11-304088
Formula: C26H29N3O2S
Spectral Data
(1R,9S)-11-(1-Acetyl-4-piperidinyl)-5-(1-benzothiophen-2-yl)-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 | 1443 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/4/2021 9:12:35 AM |
Identificators
| InChI | InChI=1S/C26H29N3O2S/c1-17(30)27-10-8-21(9-11-27)28-14-18-12-20(16-28)23-7-6-22(26(31)29(23)15-18)25-13-19-4-2-3-5-24(19)32-25/h2-7,13,18,20-21H,8-12,14-16H2,1H3/t18-,20+/m0/s1 |
| InChI Key | JUPNDPKUAYCXHU-AZUAARDMSA-N |
| Canonical SMILES | CC(=O)N1CCC(CC1)N2CC3CC(C2)C4=CC=C(C(=O)N4C3)C5=CC6=CC=CC=C6S5 |
| CAS | |
| Splash | |
| Other Names | NAT11-304088 |