Dataset

mass spectrometry (MS) ()

Chemical Info

InChI	InChI=1S/C19H22BrN5O2/c1-3-5-6-16-12-25(23-21-16)18-17(19(26)27-4-2)13-24(22-18)11-14-7-9-15(20)10-8-14/h7-10,12-13H,3-6,11H2,1-2H3
SMILES	CCCCc1cn(-c2nn(Cc3ccc(Br)cc3)cc2C(=O)OCC)nn1
InChI Key	YERIOOVHZOGENU-UHFFFAOYSA-N
Molecular Formula	C19H22BrN5O2

Data and Resources

• mass spectrometry (MS) ()HTML
  Explore

  • More information
  • Go to resource

• chemistry
• mass-spectrometry

Related Resources

• This dataset related as IsPartOf to https://dx.doi.org/10.14272/YERIOOVHZOGENU-UHFFFAOYSA-N.1

Metadata Information

• Additional
• Measurement

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source
Version
Author	Gräßle, Simone, Wippert, Nicolai
Maintainer	chemotion-repository
Language	en
MetadataCreated	2024-02-18T03:50:02.485660
MetadataModified	2024-02-18T03:50:02.485665
MetadataPublished

Field	Value
Measurement Technique
Measurement Variables