Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H18N2S/c1-11(2)18-14-7-5-13(6-8-14)17-19-15-9-4-12(3)10-16(15)20-17/h4-11,18H,1-3H3
SMILES	CC(Nc1ccc(cc1)c1nc2c(s1)cc(cc2)C)C
InChI Key	QBUUSKFCOZCDNQ-UHFFFAOYSA-N
Molecular Formula	C17H18N2S
Exact Mass	282.403 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/QBUUSKFCOZCDNQ-UHFFFAOYSA-N/CHMO0000470.1
License URL
Source	https://www.chemotion-repository.net/inchikey/QBUUSKFCOZCDNQ-UHFFFAOYSA-N/CHMO0000470.1
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:36:09.440433
MetadataModified	2024-09-07T17:11:54.787985
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
58817255	PubChem
SCHEMBL13903781	SureChEMBL
The data in this table is sourced from UniChem at EBI.