Dataset

NPE_325.1547_12.8

Chemical Info

InChI	InChI=1S/C19H20N2O3/c1-21(18(22)10-11-19(23)24)14-12-16(15-7-3-2-4-8-15)17-9-5-6-13-20-17/h2-11,13,16H,12,14H2,1H3,(H,23,24)/b11-10+
SMILES	CN(CCC(C1=CC=CC=C1)C1=NC=CC=C1)C(=O)\C=C\C(O)=O
InChI Key	NQGDWANJMZMGLN-ZHACJKMWSA-N
Molecular Formula	C19H20N2O3
Exact Mass	324.147 g/mol

Data and Resources

• NPE_325.1547_12.8HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag_Additional_Specs-ET110104
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T14:49:42.562372
MetadataModified	2025-02-09T11:09:06.019703
MetadataPublished	2016-03-17

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DTXSID40891671	EPA CompTox Dashboard
134753270	PubChem
The data in this table is sourced from UniChem at EBI.