Dataset

Chromafenozide

This MassBank record with Accession MSBNK-Eawag-EQ01121754 contains the MS2 mass spectrum of Chromafenozide with the InChIkey HPNSNYBUADCFDR-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H30N2O3/c1-15-12-16(2)14-18(13-15)23(28)26(24(4,5)6)25-22(27)20-9-10-21-19(17(20)3)8-7-11-29-21/h9-10,12-14H,7-8,11H2,1-6H3,(H,25,27)
SMILES CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C3=C(C=C2)OCCC3)C)C
InChI Key HPNSNYBUADCFDR-UHFFFAOYSA-N
Molecular Formula C24H30N2O3
Exact Mass 394.226 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01121754
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T14:22:04.836759
MetadataModified 2025-02-09T10:33:13.556258
MetadataPublished 2023-04-27
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000028654995 ZINC
SCHEMBL73335 SureChEMBL
10157484 PubChem
143807-66-3 ACToR
PD101200 ProbesDrugs
2ODM465D5M FDA SRS
15150642 PubChem: Thomson Pharma
HY-17533 MedChemExpress
HMDB0250201 Human Metabolome Database
50488460 BindingDB
DTXSID4057976 EPA CompTox Dashboard
J1.295.632K Nikkaji
38450 ChEBI
CHEMBL227020 ChEMBL
C18515 KEGG Ligand
The data in this table is sourced from UniChem at EBI.