Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H10N4/c1-3-7-13-11(5-1)17-9-15(19-13)16-10-18-12-6-2-4-8-14(12)20-16/h1-10H
SMILES	c1ccc2c(c1)nc(cn2)c1cnc2c(n1)cccc2
InChI Key	DSYFNRZHDYNTTD-UHFFFAOYSA-N
Molecular Formula	C16H10N4
Exact Mass	258.277 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/DSYFNRZHDYNTTD-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/DSYFNRZHDYNTTD-UHFFFAOYSA-N/CHMO0000470
Version
Author	Laura Holzhauer
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:19:09.141499
MetadataModified	2024-09-08T04:19:09.141504
MetadataPublished	2024-07-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL3076524	SureChEMBL
27739-37-3	ACToR
16547031	PubChem: Thomson Pharma
20168266	NMRShiftDB
323100	PubChem
ZINC000001564233	ZINC
J664.826F	Nikkaji
FOCZED	CCDC
The data in this table is sourced from UniChem at EBI.