Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H16N2S/c1-3-17-13-7-5-12(6-8-13)16-18-14-9-4-11(2)10-15(14)19-16/h4-10,17H,3H2,1-2H3
SMILES	CCNc1ccc(cc1)c1nc2c(s1)cc(cc2)C
InChI Key	KWUZCAVKPCRJPO-UHFFFAOYSA-N
Molecular Formula	C16H16N2S
Exact Mass	268.377 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/KWUZCAVKPCRJPO-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KWUZCAVKPCRJPO-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:28:45.543775
MetadataModified	2024-09-07T17:01:50.145682
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
60026058	PubChem
SCHEMBL13903820	SureChEMBL
ZINC000075824899	ZINC
PD121501	ProbesDrugs
The data in this table is sourced from UniChem at EBI.