(1R,9S)-11-[(1-Methyl-1H-indol-3-yl)methyl]-5-(3-pyridinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
12331
Reference
(1R,9S)-11-[(1-Methyl-1H-indol-3-yl)methyl]-5-(3-pyridinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-11-[(1-Methylindol-3-yl)methyl]-5-pyridin-3-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference12331
Other Names: NAT11-286963
Formula: C26H26N4O
Spectral Data
(1R,9S)-11-[(1-Methyl-1H-indol-3-yl)methyl]-5-(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 | 755 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/3/2023 8:41:30 AM |
Identificators
| InChI | InChI=1S/C26H26N4O/c1-28-15-21(22-6-2-3-7-25(22)28)17-29-13-18-11-20(16-29)24-9-8-23(26(31)30(24)14-18)19-5-4-10-27-12-19/h2-10,12,15,18,20H,11,13-14,16-17H2,1H3/t18-,20+/m0/s1 |
| InChI Key | QYQRTGBTKFLVCO-AZUAARDMSA-N |
| Canonical SMILES | CN1C=C(C2=CC=CC=C21)CN3CC4CC(C3)C5=CC=C(C(=O)N5C4)C6=CN=CC=C6 |
| CAS | |
| Splash | |
| Other Names | NAT11-286963 |