Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H16N2S/c1-11-4-9-14-15(10-11)19-16(17-14)12-5-7-13(8-6-12)18(2)3/h4-10H,1-3H3
SMILES	Cc1ccc2c(c1)sc(n2)c1ccc(cc1)N(C)C
InChI Key	OEOPVJYUCSQVMJ-UHFFFAOYSA-N
Molecular Formula	C16H16N2S
Exact Mass	268.377 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/OEOPVJYUCSQVMJ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/OEOPVJYUCSQVMJ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:37:32.346565
MetadataModified	2024-09-07T17:13:28.096391
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
CHEMBL329640	ChEMBL
DTXSID2064999	EPA CompTox Dashboard
50129790	BindingDB
ZINC000000056936	ZINC
J227.107I	Nikkaji
82450	PubChem
SCHEMBL1727124	SureChEMBL
10205-62-6	ACToR
20145859	NMRShiftDB
MCULE-5604212706	Mcule
The data in this table is sourced from UniChem at EBI.