(1R,9S)-11-{[5-(Hydroxymethyl)-2-furyl]methyl}-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
11040
Reference
(1R,9S)-11-{[5-(Hydroxymethyl)-2-furyl]methyl}-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one Structure
Systematic / IUPAC Name: (1R,9S)-11-[[5-(Hydroxymethyl)furan-2-yl]methyl]-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference11040
Other Names: NAT11-286737
Formula: C24H26N2O3
Spectral Data
(1R,9S)-11-{[5-(Hydroxymethyl)-2-furyl]methyl}-5-(2-methylphenyl)-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 | 790 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 11/19/2021 11:42:40 AM |
Identificators
| InChI | InChI=1S/C24H26N2O3/c1-16-4-2-3-5-21(16)22-8-9-23-18-10-17(12-26(23)24(22)28)11-25(13-18)14-19-6-7-20(15-27)29-19/h2-9,17-18,27H,10-15H2,1H3/t17-,18+/m0/s1 |
| InChI Key | YUYQGQITWSFIOW-ZWKOTPCHSA-N |
| Canonical SMILES | CC1=CC=CC=C1C2=CC=C3C4CC(CN(C4)CC5=CC=C(O5)CO)CN3C2=O |
| CAS | |
| Splash | |
| Other Names | NAT11-286737 |