Dataset

Chlophedianol; LC-ESI-Q; MS; POS; 15 V, 30 V

This MassBank record with Accession MSBNK-Waters-WA001728 contains the MS mass spectrum of Chlophedianol with the InChIkey WRCHFMBCVFFYEQ-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3
SMILES CN(C)CCC(O)(c(c2)cccc2)c(c1)c(Cl)ccc1
InChI Key WRCHFMBCVFFYEQ-UHFFFAOYSA-N
Molecular Formula C17H20ClNO
Exact Mass 289.123 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-WA001728
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropan-1-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    chlophedianol DailyMed
    HMDB0015585 Human Metabolome Database
    PA164748134 PharmGKB
    SCHEMBL29734 SureChEMBL
    2795 PubChem
    PD009367 ProbesDrugs
    15072214 PubChem: Thomson Pharma
    791-35-5 ACToR
    35875354 eMolecules
    CHEMBL1201313 ChEMBL
    DB04837 DrugBank
    CB0875699 ChemicalBook
    42C50P12AP FDA SRS
    DTXSID4022789 EPA CompTox Dashboard
    135207 ChEBI
    585 DrugCentral
    ANTITUSSIN clinicaltrials
    J7.095E Nikkaji
    CHLOPHEDIANOL DailyMed
    CHLOPHEDIANOL HYDROCHLORIDE rxnorm
    CHLOPHEDIANOL rxnorm
    7324 Guide to Pharmacology
    The data in this table is sourced from UniChem at EBI.