Dataset

3-{[(7-methoxy-2-oxochromen-4-yl)methyl]methylamino}propanenitrile; LC-ESI-QTOF; MS2; CE 10 ev; [M-H]-

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01574 contains the MS2 mass spectrum of 3-{[(7-methoxy-2-oxochromen-4-yl)methyl]methylamino}propanenitrile with the InChIkey FMDMLXZPCLVWSQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C15H16N2O3/c1-17(7-3-6-16)10-11-8-15(18)20-14-9-12(19-2)4-5-13(11)14/h4-5,8-9H,3,7,10H2,1-2H3
SMILES CN(CCC#N)CC1=CC(=O)OC2=C1C=CC(=C2)OC
InChI Key FMDMLXZPCLVWSQ-UHFFFAOYSA-N
Molecular Formula C15H16N2O3
Exact Mass 272.116 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01574
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MetadataPublished 2016-01-19
Related Molecule
  • 3-[(7-methoxy-2-oxochromen-4-yl)methyl-methylamino]propanenitrile
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    ZINC000020352883 ZINC
    MCULE-6636589834 Mcule
    4826658 eMolecules
    4315245 PubChem
    182697 ChEBI
    The data in this table is sourced from UniChem at EBI.