Dataset

Celiprolol; LC-ESI-QFT; MS2; CE: 90; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Eawag-EQ301556 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 https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ301556
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MetadataPublished 2015-08-25
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
    2663 PubChem
    ACER-002 clinicaltrials
    ACER002 clinicaltrials
    PD009361 ProbesDrugs
    LSM-5187 LINCS
    56980-93-9 ACToR
    SCHEMBL49415 SureChEMBL
    14853525 PubChem: Thomson Pharma
    50470842 BindingDB
    CELIPROLOL HYDROCHLORIDE rxnorm
    CELIPROLOL rxnorm
    CELIPROLOL clinicaltrials
    CELIPROLOL HYDROCHLORIDE clinicaltrials
    SELECTOL clinicaltrials
    J246.148J Nikkaji
    DB04846 DrugBank
    9064 Guide to Pharmacology
    94461 ChEBI
    DTXSID3020259 EPA CompTox Dashboard
    569 DrugCentral
    J11.825G Nikkaji
    DRB57K47QC FDA SRS
    CB8411567 ChemicalBook
    CHEMBL27810 ChEMBL
    The data in this table is sourced from UniChem at EBI.