Dataset

Pethoxamid

This MassBank record with Accession MSBNK-UFZ-UF406202 contains the MS2 mass spectrum of Pethoxamid with the InChIkey CSWIKHNSBZVWNQ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C16H22ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3
SMILES CCOCCN(C(=O)CCl)C(=C(C)C)C1=CC=CC=C1
InChI Key CSWIKHNSBZVWNQ-UHFFFAOYSA-N
Molecular Formula C16H22ClNO2
Exact Mass 295.134 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF406202
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:43:48.614764
MetadataModified 2025-02-09T19:49:30.039510
MetadataPublished 2017-01-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
83523 ChEBI
J440.077A Nikkaji
CHEMBL2287834 ChEMBL
352ZYP854D FDA SRS
30154920 eMolecules
SCHEMBL114497 SureChEMBL
106700-29-2 ACToR
163427940 PubChem: Thomson Pharma
DTXSID4057928 EPA CompTox Dashboard
6450826 PubChem
ZINC000033985624 ZINC
The data in this table is sourced from UniChem at EBI.