Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C22H16N4/c1-2-4-20(5-3-1)25-26-22-16-19(17-8-12-23-13-9-17)6-7-21(22)18-10-14-24-15-11-18/h1-16H/b26-25+
SMILES	n1ccc(cc1)c1ccc(cc1/N=N/c1ccccc1)c1ccncc1
InChI Key	FLPICFKQBFDOEY-OCEACIFDSA-N
Molecular Formula	C22H16N4
Exact Mass	336.389 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/FLPICFKQBFDOEY-OCEACIFDSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/FLPICFKQBFDOEY-OCEACIFDSA-N/Mass
Version
Author	Patrick Hodapp
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:58:10.926347
MetadataModified	2024-09-07T14:55:17.742820
MetadataPublished	2019-04-06
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
SCHEMBL22367994	SureChEMBL
J3.487.307K	Nikkaji
J3.487.308I	Nikkaji
UTUQOS	CCDC
The data in this table is sourced from UniChem at EBI.