Dataset

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

This MassBank record with Accession MSBNK-BAFG-CSL2311091267 contains the MS2 mass spectrum of Celiprolol with the InChIkey JOATXPAWOHTVSZ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H33N3O4/c1-7-23(8-2)19(26)22-15-9-10-18(17(11-15)14(3)24)27-13-16(25)12-21-20(4,5)6/h9-11,16,21,25H,7-8,12-13H2,1-6H3,(H,22,26)
SMILES CCN(CC)C(=O)NC1=CC(=C(C=C1)OCC(CNC(C)(C)C)O)C(=O)C
InChI Key JOATXPAWOHTVSZ-UHFFFAOYSA-N
Molecular Formula C20H33N3O4
Exact Mass 379.247 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311091267
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MetadataPublished 2023-11-09
Related Molecule
  • 3-[3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-1,1-diethylurea
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB04846 drugbank
    CHEBI:94461 chebi
    CHEMBL27810 chembl
    29408752 surechembl
    49415 surechembl
    2663 pubchem
    DRB57K47QC fdasrs
    9064 gtopdb
    PD009361 probes_and_drugs
    51148951 bindingdb
    51180564 bindingdb
    569 drugcentral
    The data in this table is sourced from UniChem at EBI.