N-{4-[(1R,9S)-11-(1-Benzofuran-2-ylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl}acetamide
12260
Reference
N-{4-[(1R,9S)-11-(1-Benzofuran-2-ylmethyl)-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-(1-Benzofuran-2-ylmethyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]phenyl]acetamide
ID: Reference12260
Other Names: NAT11-290280
Formula: C28H27N3O3
Spectral Data
N-{4-[(1R,9S)-11-(1-Benzofuran-2-ylmethyl)-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 | 1384 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/14/2023 10:38:27 AM |
Identificators
| InChI | InChI=1S/C28H27N3O3/c1-18(32)29-23-8-6-20(7-9-23)25-10-11-27(33)31-15-19-12-22(28(25)31)16-30(14-19)17-24-13-21-4-2-3-5-26(21)34-24/h2-11,13,19,22H,12,14-17H2,1H3,(H,29,32)/t19-,22+/m0/s1 |
| InChI Key | LMLIHLWBAYQHCS-SIKLNZKXSA-N |
| Canonical SMILES | CC(=O)NC1=CC=C(C=C1)C2=C3C4CC(CN(C4)CC5=CC6=CC=CC=C6O5)CN3C(=O)C=C2 |
| CAS | |
| Splash | |
| Other Names | NAT11-290280 |