Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C19H18N6/c20-11-6-12-25-13-17(23-24-25)19-18(14-7-2-1-3-8-14)21-15-9-4-5-10-16(15)22-19/h1-5,7-10,13H,6,11-12,20H2
SMILES	NCCCn1nnc(c1)c1nc2ccccc2nc1c1ccccc1
InChI Key	NNBPDTIAUHMYEL-UHFFFAOYSA-N
Molecular Formula	C19H18N6
Exact Mass	330.386 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/NNBPDTIAUHMYEL-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NNBPDTIAUHMYEL-UHFFFAOYSA-N/CHMO0000470
Version
Author	Jérôme Klein
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:13:04.074496
MetadataModified	2024-09-07T21:53:27.879120
MetadataPublished	2022-02-17

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
162624703	PubChem
The data in this table is sourced from UniChem at EBI.