Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C15H14N2S/c1-17(2)12-9-7-11(8-10-12)15-16-13-5-3-4-6-14(13)18-15/h3-10H,1-2H3
SMILES	CN(c1ccc(cc1)c1nc2c(s1)cccc2)C
InChI Key	HYKGLCSXVAAXNC-UHFFFAOYSA-N
Molecular Formula	C15H14N2S
Exact Mass	254.350 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/HYKGLCSXVAAXNC-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/HYKGLCSXVAAXNC-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:52:12.673337
MetadataModified	2024-09-07T16:13:53.296980
MetadataPublished	2019-12-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL92816	ChEMBL
50129791	BindingDB
DTXSID00144559	EPA CompTox Dashboard
ECAGIB	CCDC
J902.430A	Nikkaji
ZINC000000019636	ZINC
95755	PubChem
MCULE-2268830886	Mcule
SCHEMBL61917	SureChEMBL
1125638	eMolecules
26304	Brenda
PD119807	ProbesDrugs
15094672	PubChem: Thomson Pharma
10205-56-8	ACToR
The data in this table is sourced from UniChem at EBI.