Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H15N3/c1-10-8-13-14(9-11(10)2)19-16(17)15(18-13)12-6-4-3-5-7-12/h3-9H,1-2H3,(H2,17,19)
SMILES	Nc1nc2cc(C)c(cc2nc1c1ccccc1)C
InChI Key	FGQYGNNVZDLEJN-UHFFFAOYSA-N
Molecular Formula	C16H15N3
Exact Mass	249.310 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/FGQYGNNVZDLEJN-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/FGQYGNNVZDLEJN-UHFFFAOYSA-N/CHMO0000470
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:44:22.515638
MetadataModified	2024-09-07T16:03:10.491478
MetadataPublished	2019-07-26

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
58101148	PubChem: Thomson Pharma
J2.708.192D	Nikkaji
25266393	PubChem
The data in this table is sourced from UniChem at EBI.