Dataset

3-(3,5-Dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide; LC-ESI-QFT; MS2; CE: 120%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00306007 contains the MS2 mass spectrum of 3-(3,5-Dichlorophenyl)-N-(1-methylethyl)-2,4-dioxo-1-imidazolidinecarboxamide with the InChIkey ONUFESLQCSAYKA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)
SMILES CC(C)NC(=O)N1CC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1
InChI Key ONUFESLQCSAYKA-UHFFFAOYSA-N
Molecular Formula C13H13Cl2N3O3
Exact Mass 329.033 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-Eawag-EQ00306007
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MetadataPublished 2024-06-14
Related Molecule
  • 3-(3,5-dichlorophenyl)-2,4-dioxo-N-propan-2-ylimidazolidine-1-carboxamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    37517 PubChem
    14826625 PubChem: Thomson Pharma
    36734-19-7 ACToR
    PD158013 ProbesDrugs
    S3AYV2A6EU FDA SRS
    500858 eMolecules
    SCHEMBL22416 SureChEMBL
    HMDB0031795 Human Metabolome Database
    CB7131064 ChemicalBook
    138694 Brenda
    C11208 KEGG Ligand
    CHEMBL1862887 ChEMBL
    28909 ChEBI
    J3.500I Nikkaji
    HY-B1978 MedChemExpress
    ZINC000000154980 ZINC
    DTXSID3024154 EPA CompTox Dashboard
    MCULE-9870049061 Mcule
    The data in this table is sourced from UniChem at EBI.