Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C26H28N4/c1-26(2,3)29-25-24(28-23-17-27-14-15-30(23)25)22-16-20-9-8-18-4-6-19(7-5-18)10-12-21(22)13-11-20/h4-7,11,13-17,29H,8-10,12H2,1-3H3
SMILES	CC(Nc1c(nc2n1ccnc2)c1cc2ccc1CCc1ccc(CC2)cc1)(C)C
InChI Key	XDVGAMLXRDOWHU-UHFFFAOYSA-N
Molecular Formula	C26H28N4
Exact Mass	396.527 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/XDVGAMLXRDOWHU-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/XDVGAMLXRDOWHU-UHFFFAOYSA-N/Mass
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:48:01.576278
MetadataModified	2024-09-07T14:40:45.187724
MetadataPublished	2019-01-31

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
137321246	PubChem
The data in this table is sourced from UniChem at EBI.