(1R,9S)-11-(Cyclohexylcarbonyl)-5-(2-methylphenyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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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

Spectral Data

(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.

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Available MS Data

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
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Identificators

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
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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

In Other Databases

PubChem 40724278
ChemSpider 21380101