Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C51H34N4O/c56-32-37-23-13-14-24-38(37)39-31-46-49(35-19-9-3-10-20-35)44-28-27-42(53-44)47(33-15-5-1-6-16-33)40-25-26-41(52-40)48(34-17-7-2-8-18-34)43-29-30-45(54-43)50(51(39)55-46)36-21-11-4-12-22-36/h1-32,52,55H/b47-40-,47-42-,48-41-,48-43-,49-44-,49-46-,50-45-,51-50-
SMILES	O=Cc1ccccc1c1cc2[nH]c1/C(=C\1/C=CC(=N1)/C(=c\1/cc/c(=C(/C3=N/C(=C\2/c2ccccc2)/C=C3)\c2ccccc2)/[nH]1)/c1ccccc1)/c1ccccc1
InChI Key	KXWSDZYAKUDZPF-ROVQYOBGSA-N
Molecular Formula	C51H34N4O
Exact Mass	718.842 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/KXWSDZYAKUDZPF-ROVQYOBGSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KXWSDZYAKUDZPF-ROVQYOBGSA-N/CHMO0000470
Version
Author	Christoph Schissler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:58:34.096167
MetadataModified	2024-09-07T17:42:09.269589
MetadataPublished	2020-04-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
15734031	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.