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

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

ID: Reference10055

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-3-(propylsulfonyl)-9-[4-(trifluoromethoxy)phenyl]-, (1R,5R)-;
NAT11-284629

Formula: C21H23F3N2O4S

Spectral Data

(1R,9R)-11-(Propylsulfonyl)-5-[4-(trifluoromethoxy)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 2230
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 11/13/2020 11:22:17 AM
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Identificators

InChI InChI=1S/C21H23F3N2O4S/c1-2-9-31(28,29)25-11-14-10-16(13-25)19-8-7-18(20(27)26(19)12-14)15-3-5-17(6-4-15)30-21(22,23)24/h3-8,14,16H,2,9-13H2,1H3/t14-,16+/m0/s1
InChI Key INPAEXGUQGOUIV-GOEBONIOSA-N
Canonical SMILES CCCS(=O)(=O)N1CC2CC(C1)C3=CC=C(C(=O)N3C2)C4=CC=C(C=C4)OC(F)(F)F
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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-3-(propylsulfonyl)-9-[4-(trifluoromethoxy)phenyl]-, (1R,5R)-;
NAT11-284629

In Other Databases

ChemSpider 5987967
PubChem 7674736