Dataset

Demexiptiline

This MassBank record with Accession MSBNK-Waters-WA002119 contains the MS mass spectrum of Demexiptiline with the InChIkey SEDQWOMFMIJKCU-UHFFFAOYSA-N.

Chemical Info

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-WA002119
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:35:17.620497
MetadataModified 2025-02-09T20:22:53.733107
MetadataPublished 2016-01-19
Related Molecule
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.