(1R,9S)-5-(1-Benzothiophen-2-yl)-11-(4-fluorobenzoyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

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

ID: Reference10004

Other Names: 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-benzo[b]thien-2-yl-3-(4-fluorobenzoyl)-1,2,3,4,5,6-hexahydro-, (1R,5S)-;
NAT11-284167

Formula: C26H21FN2O2S

Spectral Data

(1R,9S)-5-(1-Benzothiophen-2-yl)-11-(4-fluorobenzoyl)-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 375
Tandem Spectra MS1, MS2
Ionization Methods NSI
Analyzers FT
Last Modification 10/23/2020 8:42:20 AM
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Identificators

InChI InChI=1S/C26H21FN2O2S/c27-20-7-5-17(6-8-20)25(30)28-13-16-11-19(15-28)22-10-9-21(26(31)29(22)14-16)24-12-18-3-1-2-4-23(18)32-24/h1-10,12,16,19H,11,13-15H2/t16-,19+/m0/s1
InChI Key UKEMLLZAGQHEBZ-QFBILLFUSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)C4=CC5=CC=CC=C5S4)C(=O)C6=CC=C(C=C6)F
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Other Names 1,5-Methano-8H-pyrido[1,2-a][1,5]diazocin-8-one, 9-benzo[b]thien-2-yl-3-(4-fluorobenzoyl)-1,2,3,4,5,6-hexahydro-, (1R,5S)-;
NAT11-284167

In Other Databases

ChemSpider 10086286
PubChem 11911963