Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C19H20F3N3/c1-2-3-12-25-17-15(10-7-11-16(17)19(20,21)22)18(24-25)23-13-14-8-5-4-6-9-14/h4-11H,2-3,12-13H2,1H3,(H,23,24)
SMILES	CCCCn1nc(c2c1c(ccc2)C(F)(F)F)NCc1ccccc1
InChI Key	GURMGCRMABASRX-UHFFFAOYSA-N
Molecular Formula	C19H20F3N3
Exact Mass	347.377 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/GURMGCRMABASRX-UHFFFAOYSA-N/Mass
License URL
Source	https://www.chemotion-repository.net/inchikey/GURMGCRMABASRX-UHFFFAOYSA-N/Mass
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:45:43.145115
MetadataModified	2024-09-07T14:37:27.787826
MetadataPublished	2019-01-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
135564200	PubChem
The data in this table is sourced from UniChem at EBI.