1-(3-Fluorophenyl)-3-[(1R,9S)-6-oxo-11-(phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea

enlarge

Systematic / IUPAC Name: 1-(3-Fluorophenyl)-3-[(1R,9S)-6-oxo-11-(2-phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea

ID: Reference10137

Other Names: Urea, N-(3-fluorophenyl)-N'-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(2-phenoxyacetyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-274930

Formula: C26H25FN4O4

Spectral Data

1-(3-Fluorophenyl)-3-[(1R,9S)-6-oxo-11-(phenoxyacetyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]urea 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 2
No. of Spectra 5168
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 12/11/2020 10:59:44 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C26H25FN4O4/c27-19-5-4-6-20(12-19)28-26(34)29-22-9-10-23-18-11-17(14-31(23)25(22)33)13-30(15-18)24(32)16-35-21-7-2-1-3-8-21/h1-10,12,17-18H,11,13-16H2,(H2,28,29,34)/t17-,18+/m0/s1
InChI Key AEGMURISFRMSLD-ZWKOTPCHSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)NC4=CC(=CC=C4)F)C(=O)COC5=CC=CC=C5
CAS
Splash
Other Names Urea, N-(3-fluorophenyl)-N'-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(2-phenoxyacetyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-274930

In Other Databases

ChemSpider 5484458
PubChem 7142734