4-[(1R,9S)-3-(2-Fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-4-oxobutanoic acid

enlarge

Systematic / IUPAC Name: 4-[(1R,9S)-3-(2-Fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-4-oxobutanoic acid

ID: Reference8867

Other Names: 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-butanoic acid, 11-(2-fluorophenyl)-1,5,6,8-tetrahydro-γ,8-dioxo-, (1R,5S)-;
NAT11-287920

Formula: C21H21FN2O4

Spectral Data

4-[(1R,9S)-3-(2-Fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-4-oxobutanoic acid 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 FAIMS
No. of Spectral Trees 1
No. of Spectra 1390
Tandem Spectra MS1, MS2, MS3
Ionization Methods NSI
Analyzers FT
Last Modification 9/2/2019 7:16:18 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C21H21FN2O4/c22-17-4-2-1-3-15(17)16-5-6-19(26)24-11-13-9-14(21(16)24)12-23(10-13)18(25)7-8-20(27)28/h1-6,13-14H,7-12H2,(H,27,28)/t13-,14+/m0/s1
InChI Key WPKAPHGJFBAECG-UONOGXRCSA-N
Canonical SMILES C1C2CN(CC1C3=C(C=CC(=O)N3C2)C4=CC=CC=C4F)C(=O)CCC(=O)O
CAS
Splash
Other Names 1,5-Methano-2H-pyrido[1,2-a][1,5]diazocine-3(4H)-butanoic acid, 11-(2-fluorophenyl)-1,5,6,8-tetrahydro-γ,8-dioxo-, (1R,5S)-;
NAT11-287920

In Other Databases

ChemSpider 7707733
PubChem 9424347