Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C32H22N4/c1-3-7-21(8-4-1)31-27-15-11-23(33-27)19-25-13-17-29(35-25)32(22-9-5-2-6-10-22)30-18-14-26(36-30)20-24-12-16-28(31)34-24/h1-20,33,36H/b23-19-,24-20-,25-19-,26-20-,31-27-,31-28-,32-29-,32-30-
SMILES	c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C=c\2/cc/c(=C(/C3=N/C(=C\c4[nH]c1cc4)/C=C3)\c1ccccc1)/[nH]2
InChI Key	FNNOEKVUXXVPAI-DUVOQLPESA-N
Molecular Formula	C32H22N4
Exact Mass	462.544 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FNNOEKVUXXVPAI-DUVOQLPESA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/FNNOEKVUXXVPAI-DUVOQLPESA-N/CHMO0000470
Version
Author	Christoph Schissler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:00:57.841811
MetadataModified	2024-09-07T17:45:52.558271
MetadataPublished	2020-04-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J1.531.154A	Nikkaji
ODEFOS	CCDC
CB6487713	ChemicalBook
J1.011.508F	Nikkaji
CHEMBL207155	ChEMBL
SCHEMBL2563180	SureChEMBL
PD018168	ProbesDrugs
15943337	PubChem: Thomson Pharma
24894562	eMolecules
The data in this table is sourced from UniChem at EBI.