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

ID: Reference10034

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-[4-(methylthio)phenyl]-, (1R,5S)-;
NAT11-284763

Formula: C25H30N2O2S

Spectral Data

(1R,9S)-11-(Cyclohexylcarbonyl)-5-[4-(methylsulfanyl)phenyl]-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
No. of Spectral Trees 1
No. of Spectra 167
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 11/6/2020 1:25:23 PM
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Identificators

InChI InChI=1S/C25H30N2O2S/c1-30-21-9-7-18(8-10-21)22-11-12-23-20-13-17(15-27(23)25(22)29)14-26(16-20)24(28)19-5-3-2-4-6-19/h7-12,17,19-20H,2-6,13-16H2,1H3/t17-,20+/m0/s1
InChI Key SMGSIUQZWZRPPW-FXAWDEMLSA-N
Canonical SMILES CSC1=CC=C(C=C1)C2=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-[4-(methylthio)phenyl]-, (1R,5S)-;
NAT11-284763

In Other Databases

ChemSpider 21380104
PubChem 25388474