Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C58H34ClN7O/c59-33-52-61-62-58(67-52)53-54(63-44-25-9-1-17-35(44)36-18-2-10-26-45(36)63)43(34-60)55(64-46-27-11-3-19-37(46)38-20-4-12-28-47(38)64)57(66-50-31-15-7-23-41(50)42-24-8-16-32-51(42)66)56(53)65-48-29-13-5-21-39(48)40-22-6-14-30-49(40)65/h1-32H,33H2
SMILES	ClCc1nnc(o1)c1c(n2c3ccccc3c3c2cccc3)c(n2c3ccccc3c3c2cccc3)c(c(c1n1c2ccccc2c2c1cccc2)C#N)n1c2ccccc2c2c1cccc2
InChI Key	CUVCCIOSRGCLAX-UHFFFAOYSA-N
Molecular Formula	C58H34ClN7O
Exact Mass	880.390 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CUVCCIOSRGCLAX-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/CUVCCIOSRGCLAX-UHFFFAOYSA-N/CHMO0000470
Version
Author	Fabian Hundemer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:57:59.370120
MetadataModified	2024-09-07T16:21:59.878334
MetadataPublished	2020-01-16

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453629	PubChem
The data in this table is sourced from UniChem at EBI.