Dataset

Amodiaquin; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA001844 contains the MS mass spectrum of Amodiaquin with the InChIkey OVCDSSHSILBFBN-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)
SMILES CCN(CC)Cc(c(O)3)cc(cc3)Nc(c2)c(c1)c(nc2)cc(Cl)c1
InChI Key OVCDSSHSILBFBN-UHFFFAOYSA-N
Molecular Formula C20H22ClN3O
Exact Mass 355.145 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001844
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00613 drugbank
    CHEBI:2674 chebi
    CQA rcsb_pdb
    CHEMBL682 chembl
    29425350 surechembl
    29441086 surechembl
    44152 surechembl
    2165 pubchem
    3647519 pubchem
    220236ED28 fdasrs
    10018 gtopdb
    PD009890 probes_and_drugs
    GIWLII CCDC
    220157 brenda
    229157 brenda
    229158 brenda
    239401 brenda
    6149 brenda
    92441 brenda
    HMDB0014751 hmdb
    Molport-000-728-509 molport
    Molport-001-924-563 molport
    186 drugcentral
    50041457 bindingdb
    586429 bindingdb
    The data in this table is sourced from UniChem at EBI.