4-Fluoro-N-[(1R,9S)-6-oxo-11-(2-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide

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Systematic / IUPAC Name: 4-Fluoro-N-[(1R,9S)-6-oxo-11-pyrimidin-2-yl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide

ID: Reference10940

Other Names: Benzamide, 4-fluoro-N-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(2-pyrimidinyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-275531

Formula: C22H20FN5O2

Spectral Data

4-Fluoro-N-[(1R,9S)-6-oxo-11-(2-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]benzamide 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 970
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/15/2021 10:14:58 AM
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Identificators

InChI InChI=1S/C22H20FN5O2/c23-17-4-2-15(3-5-17)20(29)26-18-6-7-19-16-10-14(12-28(19)21(18)30)11-27(13-16)22-24-8-1-9-25-22/h1-9,14,16H,10-13H2,(H,26,29)/t14-,16+/m0/s1
InChI Key UCIVNRFMCKJVAE-GOEBONIOSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)C4=CC=C(C=C4)F)C5=NC=CC=N5
CAS
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Other Names Benzamide, 4-fluoro-N-[(1R,5S)-1,3,4,5,6,8-hexahydro-8-oxo-3-(2-pyrimidinyl)-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-9-yl]-;
NAT11-275531

In Other Databases

PubChem 7142823
ChemSpider 5484500