Dataset

Hexamidine; LC-ESI-QTOF; MS2; 60 V

This MassBank record with Accession MSBNK-BAFG-CSL2311108685 contains the MS2 mass spectrum of Hexamidine with the InChIkey OQLKNTOKMBVBKV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H26N4O2/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24)
SMILES C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=CC=C(C=C2)C(=N)N
InChI Key OQLKNTOKMBVBKV-UHFFFAOYSA-N
Molecular Formula C20H26N4O2
Exact Mass 354.206 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311108685
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MetadataPublished 2023-11-10
Related Molecule
  • 4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    14953171 PubChem: Thomson Pharma
    65130 PubChem
    PD007222 ProbesDrugs
    SCHEMBL144738 SureChEMBL
    3483C2H13H FDA SRS
    3811-75-4 ACToR
    HEXAMIDINE clinicaltrials
    6756804 eMolecules
    DB03808 DrugBank
    CHEMBL25105 ChEMBL
    DID PDBe
    HEXAMIDINE rxnorm
    87184 ChEBI
    DTXSID60191524 EPA CompTox Dashboard
    50015234 BindingDB
    ZINC000001705403 ZINC
    J238.611I Nikkaji
    3275 DrugCentral
    CB3961315 ChemicalBook
    The data in this table is sourced from UniChem at EBI.