Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C15H14N2S/c1-10-3-8-13-14(9-10)18-15(17-13)11-4-6-12(16-2)7-5-11/h3-9,16H,1-2H3
SMILES CNc1ccc(cc1)c1nc2c(s1)cc(cc2)C
InChI Key GGFYWXBSNMOKOK-UHFFFAOYSA-N
Molecular Formula C15H14N2S
Exact Mass 254.350 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GGFYWXBSNMOKOK-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/GGFYWXBSNMOKOK-UHFFFAOYSA-N/CHMO0000470
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:33:46.102182
MetadataModified 2024-09-07T17:08:26.773311
MetadataPublished 2020-02-28
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
CHEMBL330529 ChEMBL
SCHEMBL178156 SureChEMBL
10422457 PubChem
J1.606.504H Nikkaji
15441049 PubChem: Thomson Pharma
50109051 BindingDB
The data in this table is sourced from UniChem at EBI.