Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C48H36N6O4/c1-3-57-47(55)31-13-9-29(10-14-31)43-35-17-21-39(51-35)45(33-7-5-25-49-27-33)41-23-19-37(53-41)44(30-11-15-32(16-12-30)48(56)58-4-2)38-20-24-42(54-38)46(34-8-6-26-50-28-34)40-22-18-36(43)52-40/h5-28,51,54H,3-4H2,1-2H3/b43-35-,43-36-,44-37-,44-38-,45-39-,45-41-,46-40-,46-42-
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)/c1cccnc1)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1cccnc1
InChI Key	MCMNQFPXUXKKKX-ZTRVSJDYSA-N
Molecular Formula	C48H36N6O4
Exact Mass	760.837 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/MCMNQFPXUXKKKX-ZTRVSJDYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/MCMNQFPXUXKKKX-ZTRVSJDYSA-N/CHMO0000470
Version
Author	Stefan Marschner
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:50:57.321642
MetadataModified	2024-09-07T18:52:27.720020
MetadataPublished	2020-08-31
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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