Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H20N4/c1-5-17-8-4-16-2-6-18(22(10-16)20-13-25-26-14-20)7-3-15(1)9-21(17)19-11-23-24-12-19/h1-2,5-6,9-14H,3-4,7-8H2,(H,23,24)(H,25,26)
SMILES	n1[nH]cc(c1)c1cc2CCc3ccc(CCc1cc2)cc3c1c[nH]nc1
InChI Key	IHMXEAXRAFCICW-UHFFFAOYSA-N
Molecular Formula	C22H20N4
Exact Mass	340.421 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/IHMXEAXRAFCICW-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/IHMXEAXRAFCICW-UHFFFAOYSA-N/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:04:15.523535
MetadataModified	2024-09-07T23:57:50.789065
MetadataPublished	2022-12-07

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166001337	PubChem
The data in this table is sourced from UniChem at EBI.