4-{[3-(Diethylamino)propyl]amino}-4-oxobut-2-enoic acid

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Systematic / IUPAC Name: (2E)-4-{[3-(Diethylammonio)propyl]amino}-4-oxo-2-butenoate

ID: Reference4184

Other Names:

Formula: C11H20N2O3

Spectral Data

4-{[3-(Diethylamino)propyl]amino}-4-oxobut-2-enoic 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 188
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/14/2016 9:44:02 AM
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Identificators

InChI InChI=1S/C11H20N2O3/c1-3-13(4-2)9-5-8-12-10(14)6-7-11(15)16/h6-7H,3-5,8-9H2,1-2H3,(H,12,14)(H,15,16)/b7-6+
InChI Key SNAWIFGTVBOMDL-VOTSOKGWSA-N
Canonical SMILES CCN(CC)CCCNC(=O)C=CC(=O)O
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Other Names

In Other Databases

ChemSpider 1337310
PubChem 1678791; 1678792
ChEMBL CHEMBL1345943