N-{4-[(1R,9S)-11-(4-Fluorobenzyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl}acetamide
11016
Reference
N-{4-[(1R,9S)-11-(4-Fluorobenzyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl}acetamide Structure
Systematic / IUPAC Name: N-[4-[(1R,9S)-11-[(4-Fluorophenyl)methyl]-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide
ID: Reference11016
Other Names: NAT11-290275
Formula: C26H26FN3O2
Spectral Data
N-{4-[(1R,9S)-11-(4-Fluorobenzyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl}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 | 2582 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/12/2021 10:02:13 AM |
Identificators
| InChI | InChI=1S/C26H26FN3O2/c1-17(31)28-23-8-4-20(5-9-23)24-10-11-25(32)30-15-19-12-21(26(24)30)16-29(14-19)13-18-2-6-22(27)7-3-18/h2-11,19,21H,12-16H2,1H3,(H,28,31)/t19-,21+/m0/s1 |
| InChI Key | MBROWBMTZMHKPK-PZJWPPBQSA-N |
| Canonical SMILES | CC(=O)NC1=CC=C(C=C1)C2=C3C4CC(CN(C4)CC5=CC=C(C=C5)F)CN3C(=O)C=C2 |
| CAS | |
| Splash | |
| Other Names | NAT11-290275 |