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

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

ID: Reference9568

Other Names: 4-Pyridinecarboxamide, 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]-;
NAT11-275542

Formula: C21H20N6O2

Spectral Data

N-[(1R,9S)-6-Oxo-11-(2-pyrimidinyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]isonicotinamide 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 2
No. of Spectra 3643
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 4/3/2020 12:45:09 PM
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Identificators

InChI InChI=1S/C21H20N6O2/c28-19(15-4-8-22-9-5-15)25-17-2-3-18-16-10-14(12-27(18)20(17)29)11-26(13-16)21-23-6-1-7-24-21/h1-9,14,16H,10-13H2,(H,25,28)/t14-,16+/m0/s1
InChI Key XLFRHYAWOXAQMF-GOEBONIOSA-N
Canonical SMILES C1C2CN(CC1C3=CC=C(C(=O)N3C2)NC(=O)C4=CC=NC=C4)C5=NC=CC=N5
CAS
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Other Names 4-Pyridinecarboxamide, 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]-;
NAT11-275542

In Other Databases

PubChem 7142825
ChemSpider 5484501