Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C20H16N6/c1-15-7-9-16(10-8-15)12-25-13-18(11-21)20(23-25)26-14-19(22-24-26)17-5-3-2-4-6-17/h2-10,13-14H,12H2,1H3
SMILES	N#Cc1cn(nc1n1nnc(c1)c1ccccc1)Cc1ccc(cc1)C
InChI Key	ZHUFVXOCSYMTKK-UHFFFAOYSA-N
Molecular Formula	C20H16N6
Exact Mass	340.381 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/ZHUFVXOCSYMTKK-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ZHUFVXOCSYMTKK-UHFFFAOYSA-N/CHMO0000470
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:59:59.247669
MetadataModified	2024-09-08T02:59:59.247674
MetadataPublished	2024-02-14

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

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