Dataset

Vardenafil

This MassBank record with Accession MSBNK-Athens_Univ-AU235903 contains the MS2 mass spectrum of Vardenafil with the InChIkey SECKRCOLJRRGGV-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)
SMILES CCCC1=NC(C)=C2N1NC(=NC2=O)C1=C(OCC)C=CC(=C1)S(=O)(=O)N1CCN(CC)CC1
InChI Key SECKRCOLJRRGGV-UHFFFAOYSA-N
Molecular Formula C23H32N6O4S
Exact Mass 488.221 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-AU235903
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Maintainer
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MetadataPublished 2019-05-30
Related Molecule
  • 2-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-methyl-7-propyl-1H-imidazo[5,1-f][1,2,4]triazin-4-one
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00862 drugbank
    CHEBI:46295 chebi
    VDN rcsb_pdb
    CHEMBL1520 chembl
    29390262 surechembl
    29491016 surechembl
    35902 surechembl
    5772 surechembl
    135400189 pubchem
    UCE6F4125H fdasrs
    VDN pdbe
    7320 gtopdb
    PD009681 probes_and_drugs
    ULAVAH CCDC
    117594 brenda
    1227 brenda
    70659 brenda
    HMDB0015000 hmdb
    Molport-002-672-272 molport
    Molport-006-167-644 molport
    2809 drugcentral
    14776 bindingdb
    50088373 bindingdb
    The data in this table is sourced from UniChem at EBI.