Dataset

Propoxycarbazone

This MassBank record with Accession MSBNK-UFZ-UF401454 contains the MS2 mass spectrum of Propoxycarbazone with the InChIkey JTHMVYBOQLDDIY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H18N4O7S/c1-4-9-26-14-16-19(15(22)18(14)2)13(21)17-27(23,24)11-8-6-5-7-10(11)12(20)25-3/h5-8H,4,9H2,1-3H3,(H,17,21)
SMILES CCCOC1=NN(C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC)C(=O)N1C
InChI Key JTHMVYBOQLDDIY-UHFFFAOYSA-N
Molecular Formula C15H18N4O7S
Exact Mass 398.090 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-UF401454
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T21:50:22.433250
MetadataModified 2025-02-09T19:49:39.878360
MetadataPublished 2017-01-05
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL1882497 ChEMBL
J1.510.088E Nikkaji
6R4 PDBe
DTXSID8037704 EPA CompTox Dashboard
206241 Brenda
177355 PubChem
161W380R06 FDA SRS
SCHEMBL115728 SureChEMBL
145026-81-9 ACToR
16453956 PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.