Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

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

Chemical Information

molecular Image
InChI InChI=1S/C42H56N10.2BrH.2Cu/c1-39(2,3)33-21-25-49(45-33)37(50-26-22-34(46-50)40(4,5)6)31-17-13-15-29(43-31)19-20-30-16-14-18-32(44-30)38(51-27-23-35(47-51)41(7,8)9)52-28-24-36(48-52)42(10,11)12;;;;/h13-18,21-28,37-38H,19-20H2,1-12H3;2*1H;;/q;;;2*+1/p-2
SMILES CC(c1ccn(n1)C(n1ccc(n1)C(C)(C)C)c1cccc(n1)CCc1cccc(n1)C(n1ccc(n1)C(C)(C)C)n1ccc(n1)C(C)(C)C)(C)C.[Cu]Br.[Cu]Br
InChI Key QPLRANNYIXRXHQ-UHFFFAOYSA-L
Molecular Formula C42H56Br2Cu2N10
Exact Mass 987.861 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QPLRANNYIXRXHQ-UHFFFAOYSA-L/CHMO0000485
License URL
Source https://www.chemotion-repository.net/inchikey/QPLRANNYIXRXHQ-UHFFFAOYSA-L/CHMO0000485
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2023-04-13
Related Molecule
  • 2-[bis(3-tert-butylpyrazol-1-yl)methyl]-6-[2-[6-[bis(3-tert-butylpyrazol-1-yl)methyl]pyridin-2-yl]ethyl]pyridine;bromocopper
    • Field Value
    Measurement Technique high-resolution electrospray ionisation mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    168008338 PubChem
    The data in this table is sourced from UniChem at EBI.