Dataset

high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

dataset for high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)

Chemical Information

molecular Image
InChI InChI=1S/2C11H18N4.2BrH.Cu/c2*1-14(2)11(15(3)4)13-9-10-7-5-6-8-12-10;;;/h2*5-8H,9H2,1-4H3;2*1H;/q;;;;+2/p-2
SMILES CN(C(=NCc1ccccn1)N(C)C)C.CN(C(=NCc1ccccn1)N(C)C)C.[Cu+2].[Br-].[Br-]
InChI Key DADKCGDWBGVQPP-UHFFFAOYSA-L
Molecular Formula C22H36Br2CuN8
Exact Mass 635.929 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DADKCGDWBGVQPP-UHFFFAOYSA-L/CHMO0002541
License URL
Source https://www.chemotion-repository.net/inchikey/DADKCGDWBGVQPP-UHFFFAOYSA-L/CHMO0002541
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-08-03
Related Molecule
  • copper;1,1,3,3-tetramethyl-2-(pyridin-2-ylmethyl)guanidine;dibromide
    • Field Value
    Measurement Technique high-resolution electrospray ionisation time-of-flight mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    164889670 PubChem
    The data in this table is sourced from UniChem at EBI.