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/2C15H20N4.CHF3O3S.Cu/c2*1-11-9-10-12-7-6-8-13(14(12)16-11)17-15(18(2)3)19(4)5;2-1(3,4)8(5,6)7;/h2*6-10H,1-5H3;(H,5,6,7);/q;;;+1/p-1
SMILES FC(S(=O)(=O)[O-])(F)F.Cc1ccc2c(n1)c(ccc2)N=C(N(C)C)N(C)C.Cc1ccc2c(n1)c(ccc2)N=C(N(C)C)N(C)C.[Cu+]
InChI Key JZHZQROLCJLKJN-UHFFFAOYSA-M
Molecular Formula C31H40CuF3N8O3S
Exact Mass 725.307 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/JZHZQROLCJLKJN-UHFFFAOYSA-M/CHMO0002541
License URL
Source https://www.chemotion-repository.net/inchikey/JZHZQROLCJLKJN-UHFFFAOYSA-M/CHMO0002541
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataPublished 2022-03-14
Related Molecule
  • copper(1+);1,1,3,3-tetramethyl-2-(2-methylquinolin-8-yl)guanidine;trifluoromethanesulfonate
    • Field Value
    Measurement Technique high-resolution electrospray ionisation time-of-flight mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    162677546 PubChem
    The data in this table is sourced from UniChem at EBI.