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

ID: Reference8850

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-(methylsulfonyl)-, (1R,5R)-;
NAT11-284333

Formula: C19H22N2O3S

Spectral Data

(1R,9R)-5-(2-Methylphenyl)-11-(methylsulfonyl)-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 1473
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 8/19/2019 7:05:48 AM
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Identificators

InChI InChI=1S/C19H22N2O3S/c1-13-5-3-4-6-16(13)17-7-8-18-15-9-14(11-21(18)19(17)22)10-20(12-15)25(2,23)24/h3-8,14-15H,9-12H2,1-2H3/t14-,15+/m0/s1
InChI Key HEFUHOCGDWFDEZ-LSDHHAIUSA-N
Canonical SMILES CC1=CC=CC=C1C2=CC=C3C4CC(CN(C4)S(=O)(=O)C)CN3C2=O
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-(methylsulfonyl)-, (1R,5R)-;
NAT11-284333

In Other Databases

ChemSpider 10116028
PubChem 11941709