Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C50H38N4O4/c1-3-57-49(55)35-19-15-33(16-20-35)47-41-27-23-37(51-41)45(31-11-7-5-8-12-31)39-25-29-43(53-39)48(34-17-21-36(22-18-34)50(56)58-4-2)44-30-26-40(54-44)46(32-13-9-6-10-14-32)38-24-28-42(47)52-38/h5-30,51,54H,3-4H2,1-2H3/b45-37-,45-39-,46-38-,46-40-,47-41-,47-42-,48-43-,48-44-
SMILES	CCOC(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1ccccc1)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1ccccc1
InChI Key	CQICNQVIXSEEJL-UDTYQVGYSA-N
Molecular Formula	C50H38N4O4
Exact Mass	758.861 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/CQICNQVIXSEEJL-UDTYQVGYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/CQICNQVIXSEEJL-UDTYQVGYSA-N/CHMO0000470
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:46:25.184269
MetadataModified	2024-09-07T16:05:50.832435
MetadataPublished	2019-08-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.