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)\n\n

Chemical Info

molecular Image
InChI InChI=1S/2C20H28N4.2CHF3O3S.Cu/c2*1-23(2)20(24(3)4)22-18-12-8-11-16-13-14-17(21-19(16)18)15-9-6-5-7-10-15;2*2-1(3,4)8(5,6)7;/h2*8,11-15H,5-7,9-10H2,1-4H3;2*(H,5,6,7);/q;;;;+2/p-2
SMILES FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.CN(C(=Nc1cccc2c1nc(cc2)C1CCCCC1)N(C)C)C.CN(C(=Nc1cccc2c1nc(cc2)C1CCCCC1)N(C)C)C.[Cu+2]
InChI Key XYXSWFSTLISVKT-UHFFFAOYSA-L
Molecular Formula C42H56CuF6N8O6S2
Exact Mass 1010.610 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/XYXSWFSTLISVKT-UHFFFAOYSA-L/CHMO0002541
License URL
Source https://www.chemotion-repository.net/inchikey/XYXSWFSTLISVKT-UHFFFAOYSA-L/CHMO0002541
Version
Author Alexander Hoffmann
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T06:20:54.749820
MetadataModified 2024-09-07T21:59:33.489150
MetadataPublished 2022-03-14
Field Value
Measurement Technique high-resolution electrospray ionisation time-of-flight mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
162677542 PubChem
The data in this table is sourced from UniChem at EBI.