Dataset

Ethyl 2,4-diaminopyrimidine-5-carboxylate; LC-ESI-QTOF; MS2; 40 V

This MassBank record with Accession MSBNK-BAFG-CSL23111010258 contains the MS2 mass spectrum of Ethyl 2,4-diaminopyrimidine-5-carboxylate with the InChIkey MANFWSKJPOXKJZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C7H10N4O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3,(H4,8,9,10,11)
SMILES CCOC(=O)C1=CN=C(N=C1N)N
InChI Key MANFWSKJPOXKJZ-UHFFFAOYSA-N
Molecular Formula C7H10N4O2
Exact Mass 182.080 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111010258
Version
Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • ethyl 2,4-diaminopyrimidine-5-carboxylate
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    222669 PubChem
    15400-54-1 ACToR
    7332227 eMolecules
    SCHEMBL3222155 SureChEMBL
    ZINC000012344004 ZINC
    CB1374038 ChemicalBook
    MCULE-9975936658 Mcule
    DTXSID40278701 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.