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

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Systematic / IUPAC Name: (1R,9R)-5-(2-Methylphenyl)-11-propylsulfonyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

ID: Reference8849

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-9-(2-methylphenyl)-3-(propylsulfonyl)-, (1R,5R)-;
NAT11-284329

Formula: C21H26N2O3S

Spectral Data

(1R,9R)-5-(2-Methylphenyl)-11-(propylsulfonyl)-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 1674
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 4/2/2024 8:03:46 AM
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Identificators

InChI InChI=1S/C21H26N2O3S/c1-3-10-27(25,26)22-12-16-11-17(14-22)20-9-8-19(21(24)23(20)13-16)18-7-5-4-6-15(18)2/h4-9,16-17H,3,10-14H2,1-2H3/t16-,17+/m0/s1
InChI Key QIODGIINWNJUOT-DLBZAZTESA-N
Canonical SMILES CCCS(=O)(=O)N1CC2CC(C1)C3=CC=C(C(=O)N3C2)C4=CC=CC=C4C
CAS
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-9-(2-methylphenyl)-3-(propylsulfonyl)-, (1R,5R)-;
NAT11-284329

In Other Databases

ChemSpider 21380103
PubChem 40724251