Dataset

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

Chemical Info

InChI	InChI=1S/2C16H23N5.2CHF3O3S.Cu/c2*1-19(2)14-10-11-17-15-12(14)8-7-9-13(15)18-16(20(3)4)21(5)6;2*2-1(3,4)8(5,6)7;/h2*7-11H,1-6H3;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(=Nc1cccc2c1nccc2N(C)C)N(C)C)C.CN(C(=Nc1cccc2c1nccc2N(C)C)N(C)C)C.[Cu+2]
InChI Key	DRQHCTISPLKMGR-UHFFFAOYSA-L
Molecular Formula	C34H46CuF6N10O6S2
Exact Mass	932.459 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DRQHCTISPLKMGR-UHFFFAOYSA-L/CHMO0002541
License URL
Source	https://www.chemotion-repository.net/inchikey/DRQHCTISPLKMGR-UHFFFAOYSA-L/CHMO0002541
Version
Author	Alexander Hoffmann
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:21:23.690925
MetadataModified	2024-09-07T21:59:56.566601
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
162677545	PubChem
The data in this table is sourced from UniChem at EBI.