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

enlarge

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

ID: Reference9730

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-9-[4-(methylthio)phenyl]-3-(propylsulfonyl)-, (1R,5R)-;
NAT11-284809

Formula: C21H26N2O3S2

Spectral Data

(1R,9R)-5-[4-(Methylsulfanyl)phenyl]-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2585
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 5/29/2020 9:56:34 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H26N2O3S2/c1-3-10-28(25,26)22-12-15-11-17(14-22)20-9-8-19(21(24)23(20)13-15)16-4-6-18(27-2)7-5-16/h4-9,15,17H,3,10-14H2,1-2H3/t15-,17+/m0/s1
InChI Key ZTHPOKWZSYMSMS-DOTOQJQBSA-N
Canonical SMILES CCCS(=O)(=O)N1CC2CC(C1)C3=CC=C(C(=O)N3C2)C4=CC=C(C=C4)SC
CAS
Splash
Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 1,2,3,4,5,6-hexahydro-9-[4-(methylthio)phenyl]-3-(propylsulfonyl)-, (1R,5R)-;
NAT11-284809

In Other Databases

PubChem 7143846
ChemSpider 5484737