Systematic / IUPAC Name: (1R,9S)-5-(4-Chlorophenyl)-11-(2-methylsulfanylacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
ID: Reference9928
Other Names:
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-3-[2-(methylthio)acetyl]-, (1R,5S)-;
NAT11-284001
Formula: C20H21ClN2O2S
(1R,9S)-5-(4-Chlorophenyl)-11-[(methylsulfanyl)acetyl]-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.
Used Instruments | Orbitrap Fusion Lumos with ETD LBP |
No. of Spectral Trees | 1 |
No. of Spectra | 1187 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 9/10/2020 8:36:29 AM |
InChI | InChI=1S/C20H21ClN2O2S/c1-26-12-19(24)22-9-13-8-15(11-22)18-7-6-17(20(25)23(18)10-13)14-2-4-16(21)5-3-14/h2-7,13,15H,8-12H2,1H3/t13-,15+/m0/s1 |
InChI Key | FNAOMYVDVAEQEO-DZGCQCFKSA-N |
Canonical SMILES | CSCC(=O)N1CC2CC(C1)C3=CC=C(C(=O)N3C2)C4=CC=C(C=C4)Cl |
CAS | |
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Other Names |
1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-(4-chlorophenyl)-1,2,3,4,5,6-hexahydro-3-[2-(methylthio)acetyl]-, (1R,5S)-; NAT11-284001 |