Dataset

Demexiptiline; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA002122 contains the MS mass spectrum of Demexiptiline with the InChIkey SEDQWOMFMIJKCU-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H18N2O/c1-19-12-13-21-20-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18/h2-11,19H,12-13H2,1H3
SMILES CNCCON=C(c21)c(c3)c(ccc3)C=Cc(cccc2)1
InChI Key SEDQWOMFMIJKCU-UHFFFAOYSA-N
Molecular Formula C18H18N2O
Exact Mass 278.142 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-WA002122
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • N-methyl-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxyethanamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    135152 ChEBI
    804 DrugCentral
    ZINC000001542913 ZINC
    J20.309B Nikkaji
    DTXSID40179441 EPA CompTox Dashboard
    28876 PubChem
    PD009415 ProbesDrugs
    24701-51-7 ACToR
    SCHEMBL49733 SureChEMBL
    CHEMBL2107576 ChEMBL
    EYX738UZ5P FDA SRS
    15096070 PubChem: Thomson Pharma
    DB08998 DrugBank
    The data in this table is sourced from UniChem at EBI.