Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C18H20N2S/c1-4-20(5-2)15-9-7-14(8-10-15)18-19-16-11-6-13(3)12-17(16)21-18/h6-12H,4-5H2,1-3H3
SMILES	CCN(c1ccc(cc1)c1nc2c(s1)cc(cc2)C)CC
InChI Key	YEMJQXMSJPHNFJ-UHFFFAOYSA-N
Molecular Formula	C18H20N2S
Exact Mass	296.430 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/YEMJQXMSJPHNFJ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/YEMJQXMSJPHNFJ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:36:54.397274
MetadataModified	2024-09-07T17:13:05.085534
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
DTXSID70144561	EPA CompTox Dashboard
J227.108G	Nikkaji
10205-63-7	ACToR
SCHEMBL3411815	SureChEMBL
82451	PubChem
The data in this table is sourced from UniChem at EBI.