Dataset

2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine; LC-ESI-QFT; MS2; CE: 30%; R=15000; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00274102 contains the MS2 mass spectrum of 2,4-Bis(isopropylamino)-6-chloro-1,3,5-triazine with the InChIkey WJNRPILHGGKWCK-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)
SMILES CC(C)NC1=NC(NC(C)C)=NC(Cl)=N1
InChI Key WJNRPILHGGKWCK-UHFFFAOYSA-N
Molecular Formula C9H16ClN5
Exact Mass 229.109 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-EQ00274102
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MetadataPublished 2024-06-14
Related Molecule
  • 6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1333189 chembl
    27578563 surechembl
    67521 surechembl
    4937 pubchem
    UYP5U99Q5T fdasrs
    PD216982 probes_and_drugs
    101808 brenda
    CHEBI:38067 chebi
    HMDB0256821 hmdb
    Molport-001-945-014 molport
    The data in this table is sourced from UniChem at EBI.