Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C18H16N6O4/c1-27-17(25)11-3-5-15(13(7-11)9-21-23-19)16-6-4-12(18(26)28-2)8-14(16)10-22-24-20/h3-8H,9-10H2,1-2H3
SMILES	[N-]=[N+]=NCc1cc(ccc1c1ccc(cc1CN=[N+]=[N-])C(=O)OC)C(=O)OC
InChI Key	LJDBRGWTXSWYJL-UHFFFAOYSA-N
Molecular Formula	C18H16N6O4
Exact Mass	380.357 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LJDBRGWTXSWYJL-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/LJDBRGWTXSWYJL-UHFFFAOYSA-N/CHMO0000498
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T03:27:33.451655
MetadataModified	2024-09-07T18:21:46.763847
MetadataPublished	2020-08-05

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
146681434	PubChem
The data in this table is sourced from UniChem at EBI.