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
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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
    ZINC000000608172 ZINC
    CB8344720 ChemicalBook
    PA448404 PharmGKB
    6149 Brenda
    HMDB0014751 Human Metabolome Database
    MCULE-5116434245 Mcule
    2165 PubChem
    3647519 PubChem
    PD009890 ProbesDrugs
    15374079 PubChem: Thomson Pharma
    220236ED28 FDA SRS
    86-42-0 ACToR
    SCHEMBL44152 SureChEMBL
    LSM-4042 LINCS
    901375 eMolecules
    27516205 eMolecules
    30334305 eMolecules
    C07626 KEGG Ligand
    DB00613 DrugBank
    CHEMBL682 ChEMBL
    2674 ChEBI
    CQA PDBe
    10018 Guide to Pharmacology
    92441 Brenda
    AMODIAQUIN clinicaltrials
    AMODIAQUINE HYDROCHLORIDE clinicaltrials
    HY-B1322A MedChemExpress
    239401 Brenda
    DTXSID2022597 EPA CompTox Dashboard
    AMODIAQUINE clinicaltrials
    AMODIAQUINE HYDROCHLORIDE rxnorm
    AMODIAQUINE rxnorm
    229158 Brenda
    50041457 BindingDB
    220157 Brenda
    229157 Brenda
    GIWLII CCDC
    J4.258G Nikkaji
    186 DrugCentral
    The data in this table is sourced from UniChem at EBI.