Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C38H26N4/c1-4-10-25(11-5-1)36-30-18-16-28(39-30)24-29-17-19-31(40-29)37(26-12-6-2-7-13-26)33-21-23-35(42-33)38(27-14-8-3-9-15-27)34-22-20-32(36)41-34/h1-24,39,42H/b28-24-,29-24-,36-30-,36-32-,37-31-,37-33-,38-34-,38-35-
SMILES	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)/[nH]2)/c1ccccc1
InChI Key	ONZNTVWSXSVUHQ-WIYWIPGRSA-N
Molecular Formula	C38H26N4
Exact Mass	538.640 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ONZNTVWSXSVUHQ-WIYWIPGRSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ONZNTVWSXSVUHQ-WIYWIPGRSA-N/CHMO0000470
Version
Author	Christoph Schissler
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:01:29.377134
MetadataModified	2024-09-07T17:46:28.090307
MetadataPublished	2020-04-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL1224432	SureChEMBL
J1.421.733I	Nikkaji
CB27247129	ChemicalBook
MOSQEQ	CCDC
J2.679.267C	Nikkaji
47210105	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.