Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

dataset for high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Information

molecular Image
InChI InChI=1S/2C16H21N5.2BrH.Cu/c2*1-19(2)14-8-9-17-15-12(14)6-5-7-13(15)18-16-20(3)10-11-21(16)4;;;/h2*5-9H,10-11H2,1-4H3;2*1H;/q;;;;+2/p-2
SMILES CN1CCN(C1=Nc1cccc2c1nccc2N(C)C)C.CN1CCN(C1=Nc1cccc2c1nccc2N(C)C)C.[Cu+2].[Br-].[Br-]
InChI Key DTZYBLUJGXJSFZ-UHFFFAOYSA-L
Molecular Formula C32H42Br2CuN10
Exact Mass 790.097 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DTZYBLUJGXJSFZ-UHFFFAOYSA-L/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/DTZYBLUJGXJSFZ-UHFFFAOYSA-L/CHMO0000485
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-08-03
Related Molecule
  • copper;8-[(1,3-dimethylimidazolidin-2-ylidene)amino]-N,N-dimethylquinolin-4-amine;dibromide
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889678 PubChem
    The data in this table is sourced from UniChem at EBI.