Dataset

Cybutryne; LC-ESI-QTOF; MS2; 70 V

This MassBank record with Accession MSBNK-BAFG-CSL2311106719 contains the MS2 mass spectrum of Cybutryne with the InChIkey HDHLIWCXDDZUFH-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16)
SMILES CSc1nc(NC2CC2)nc(NC(C)(C)C)n1
InChI Key HDHLIWCXDDZUFH-UHFFFAOYSA-N
Molecular Formula C11H19N5S
Exact Mass 253.136 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL2311106719
Version
Author
Maintainer
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MetadataPublished 2023-11-10
Related Molecule
  • 2-N-tert-butyl-4-N-cyclopropyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    91590 PubChem
    SCHEMBL241791 SureChEMBL
    15196821 PubChem: Thomson Pharma
    28159-98-0 ACToR
    E7B77O21GH FDA SRS
    510895 eMolecules
    27521280 eMolecules
    CB6773951 ChemicalBook
    ZINC000000900555 ZINC
    C10927 KEGG Ligand
    5962 ChEBI
    J135.024B Nikkaji
    CHEMBL3185551 ChEMBL
    DTXSID3032416 EPA CompTox Dashboard
    The data in this table is sourced from UniChem at EBI.