Dataset

Chromafenozide

This MassBank record with Accession MSBNK-Waters-WA000053 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 Cc(c3)cc(cc(C)3)C(=O)N(NC(=O)c(c1)c(C)c(C2)c(OCC2)c1)C(C)(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-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000053
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:31.260525
MetadataModified 2024-01-11T22:50:31.439785
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J1.295.632K Nikkaji
HMDB0250201 Human Metabolome Database
DTXSID4057976 EPA CompTox Dashboard
HY-17533 MedChemExpress
50488460 BindingDB
ZINC000028654995 ZINC
SCHEMBL73335 SureChEMBL
143807-66-3 ACToR
2ODM465D5M FDA SRS
PD101200 ProbesDrugs
10157484 PubChem
15150642 PubChem: Thomson Pharma
MolPort-039-139-607 MolPort
38450 ChEBI
CHEMBL227020 ChEMBL
C18515 KEGG Ligand
The data in this table is sourced from UniChem at EBI.