Dataset

Candesartan; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M-H]-

This MassBank record with Accession MSBNK-Athens_Univ-AU213754 contains the MS2 mass spectrum of Candesartan with the InChIkey HTQMVQVXFRQIKW-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C24H20N6O3/c1-2-33-24-25-20-9-5-8-19(23(31)32)21(20)30(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-26-28-29-27-22/h3-13H,2,14H2,1H3,(H,31,32)(H,26,27,28,29)
SMILES CCOC1=NC2=CC=CC(C(O)=O)=C2N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1
InChI Key HTQMVQVXFRQIKW-UHFFFAOYSA-N
Molecular Formula C24H20N6O3
Exact Mass 440.160 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-Athens_Univ-AU213754
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MetadataPublished 2016-02-27
Related Molecule
  • 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1016 ChEMBL
    3347 ChEBI
    587 Guide to Pharmacology
    CANDESARTAN clinicaltrials
    CANDEMORE clinicaltrials
    HY-B0205 MedChemExpress
    DTXSID0022725 EPA CompTox Dashboard
    J540.291C Nikkaji
    6907 Guide to Pharmacology
    50240609 BindingDB
    CANDESARTAN DailyMed
    CANDESARTAN rxnorm
    CV-11974 clinicaltrials
    BLOPRESS clinicaltrials
    Candesartan(Atacand) Selleck
    CB0209324 ChemicalBook
    candesartan DailyMed
    ZINC000003782818 ZINC
    HMDB0014934 Human Metabolome Database
    DB13919 DrugBank
    148967 Brenda
    PA448765 PharmGKB
    2541 PubChem
    PD001315 ProbesDrugs
    candesartan Atlas
    S8Q36MD2XX FDA SRS
    81080491 PubChem: Thomson Pharma
    139481-59-7 ACToR
    14930481 PubChem: Thomson Pharma
    SCHEMBL3938 SureChEMBL
    LSM-5903 LINCS
    32278092 eMolecules
    901501 eMolecules
    The data in this table is sourced from UniChem at EBI.