Systematic / IUPAC Name: (1R,9S)-11-(Cyclohexanecarbonyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference8864
Other Names:
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(cyclohexylcarbonyl)-1,2,3,4,5,6-hexahydro-9-(2-methylphenyl)-, (1R,5S)-;
NAT11-284283
Formula: C25H30N2O2
(1R,9S)-11-(Cyclohexylcarbonyl)-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.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP FAIMS |
No. of Spectral Trees | 1 |
No. of Spectra | 1045 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6, MS7 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 4/2/2024 8:21:34 AM |
InChI | InChI=1S/C25H30N2O2/c1-17-7-5-6-10-21(17)22-11-12-23-20-13-18(15-27(23)25(22)29)14-26(16-20)24(28)19-8-3-2-4-9-19/h5-7,10-12,18-20H,2-4,8-9,13-16H2,1H3/t18-,20+/m0/s1 |
InChI Key | SYJAPOMCZAHEMG-AZUAARDMSA-N |
Canonical SMILES | CC1=CC=CC=C1C2=CC=C3C4CC(CN(C4)C(=O)C5CCCCC5)CN3C2=O |
CAS | |
Splash | |
Other Names |
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(cyclohexylcarbonyl)-1,2,3,4,5,6-hexahydro-9-(2-methylphenyl)-, (1R,5S)-; NAT11-284283 |