3-{[(3-Oxo-1,3-dihydro-2-benzofuran-5-yl)amino]carbonyl}-2-pyrazinecarboxylic acid

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Systematic / IUPAC Name: 3-[(3-Oxo-1,3-dihydro-2-benzofuran-5-yl)carbamoyl]-2-pyrazinecarboxylic acid

ID: Reference4066

Other Names: 2-Pyrazinecarboxylic acid, 3-{[(1,3-dihydro-3-oxo-5-isobenzofuranyl)amino]carbonyl}-

Formula: C14H9N3O5

Spectral Data

3-{[(3-Oxo-1,3-dihydro-2-benzofuran-5-yl)amino]carbonyl}-2-pyrazinecarboxylic acid 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 Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 217
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/4/2016 9:44:08 AM
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Identificators

InChI InChI=1S/C14H9N3O5/c18-12(10-11(13(19)20)16-4-3-15-10)17-8-2-1-7-6-22-14(21)9(7)5-8/h1-5H,6H2,(H,17,18)(H,19,20)
InChI Key RPPQMOPOMKCCDB-UHFFFAOYSA-N
Canonical SMILES C1C2=C(C=C(C=C2)NC(=O)C3=NC=CN=C3C(=O)O)C(=O)O1
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Other Names 2-Pyrazinecarboxylic acid, 3-{[(1,3-dihydro-3-oxo-5-isobenzofuranyl)amino]carbonyl}-

In Other Databases

PubChem 2810939
ChemSpider 2089354