Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C14H17F3N4/c1-9(2)21(10(3)4)20-19-13-11(8-18)6-5-7-12(13)14(15,16)17/h5-7,9-10H,1-4H3/b20-19+
SMILES	N#Cc1cccc(c1/N=N/N(C(C)C)C(C)C)C(F)(F)F
InChI Key	KYQZOADBKSJHAL-FMQUCBEESA-N
Molecular Formula	C14H17F3N4
Exact Mass	298.307 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KYQZOADBKSJHAL-FMQUCBEESA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KYQZOADBKSJHAL-FMQUCBEESA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:23:32.777325
MetadataModified	2024-09-08T00:22:57.162919
MetadataPublished	2023-02-13

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
BOCZEZ	CCDC
J2.612.108F	Nikkaji
53836808	PubChem: Thomson Pharma
The data in this table is sourced from UniChem at EBI.