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

enlarge

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

ID: Reference10035

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(4-fluorobenzoyl)-1,2,3,4,5,6-hexahydro-9-[4-(methylthio)phenyl]-, (1R,5S)-;
NAT11-284767

Formula: C25H23FN2O2S

Spectral Data

(1R,9S)-11-(4-Fluorobenzoyl)-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.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 630
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 11/6/2020 1:37:44 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C25H23FN2O2S/c1-31-21-8-4-17(5-9-21)22-10-11-23-19-12-16(14-28(23)25(22)30)13-27(15-19)24(29)18-2-6-20(26)7-3-18/h2-11,16,19H,12-15H2,1H3/t16-,19+/m0/s1
InChI Key DEDRAUKZVVHBDM-QFBILLFUSA-N
Canonical SMILES CSC1=CC=C(C=C1)C2=CC=C3C4CC(CN(C4)C(=O)C5=CC=C(C=C5)F)CN3C2=O
CAS
Splash
Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 3-(4-fluorobenzoyl)-1,2,3,4,5,6-hexahydro-9-[4-(methylthio)phenyl]-, (1R,5S)-;
NAT11-284767

In Other Databases

ChemSpider 10059534
PubChem 11885206