N-[(1R,9S)-11-(4-Fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(4-methoxyphenyl)acetamide
11859
Reference
N-[(1R,9S)-11-(4-Fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(4-methoxyphenyl)acetamide Structure
Systematic / IUPAC Name: N-[(1R,9S)-11-(4-Fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(4-methoxyphenyl)acetamide
ID: Reference11859
Other Names: NAT11-291895
Formula: C27H26FN3O4
Spectral Data
N-[(1R,9S)-11-(4-Fluorobenzoyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(4-methoxyphenyl)acetamide 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 | 769 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/17/2022 8:36:13 AM |
Identificators
| InChI | InChI=1S/C27H26FN3O4/c1-35-22-8-2-17(3-9-22)13-25(32)29-23-10-11-24-20-12-18(15-31(24)27(23)34)14-30(16-20)26(33)19-4-6-21(28)7-5-19/h2-11,18,20H,12-16H2,1H3,(H,29,32)/t18-,20+/m0/s1 |
| InChI Key | IEAIHBYLLIXLRY-AZUAARDMSA-N |
| Canonical SMILES | COC1=CC=C(C=C1)CC(=O)NC2=CC=C3C4CC(CN(C4)C(=O)C5=CC=C(C=C5)F)CN3C2=O |
| CAS | |
| Splash | |
| Other Names | NAT11-291895 |