N1-(5-Methylisoxazol-3-yl)-N2-(2-oxoazepan-3-yl)ethanediamide

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Systematic / IUPAC Name: N-(5-Methyl-1,2-oxazol-3-yl)-N'-(2-oxo-3-azepanyl)ethanediamide

ID: Reference4799

Other Names: Ethanediamide, N1-(hexahydro-2-oxo-1H-azepin-3-yl)-N2-(5-methyl-3-isoxazolyl)-

Formula: C12H16N4O4

Spectral Data

N1-(5-Methylisoxazol-3-yl)-N2-(2-oxoazepan-3-yl)ethanediamide 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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/11/2016 2:08:16 PM
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Identificators

InChI InChI=1S/C12H16N4O4/c1-7-6-9(16-20-7)15-12(19)11(18)14-8-4-2-3-5-13-10(8)17/h6,8H,2-5H2,1H3,(H,13,17)(H,14,18)(H,15,16,19)
InChI Key SWCHPOBBWNDPRD-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=NO1)NC(=O)C(=O)NC2CCCCNC2=O
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Other Names Ethanediamide, N1-(hexahydro-2-oxo-1H-azepin-3-yl)-N2-(5-methyl-3-isoxazolyl)-

In Other Databases

ChemSpider 2084163
PubChem 2805637