Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C21H18N2S/c1-15-7-12-19-20(13-15)24-21(23-19)17-8-10-18(11-9-17)22-14-16-5-3-2-4-6-16/h2-13,22H,14H2,1H3
SMILES	Cc1ccc2c(c1)sc(n2)c1ccc(cc1)NCc1ccccc1
InChI Key	DFNVJQOYTSHVCU-UHFFFAOYSA-N
Molecular Formula	C21H18N2S
Exact Mass	330.446 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DFNVJQOYTSHVCU-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/DFNVJQOYTSHVCU-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:36:31.389789
MetadataModified	2024-09-07T17:12:21.432222
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
19644319	PubChem
SCHEMBL10600442	SureChEMBL
The data in this table is sourced from UniChem at EBI.