Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C20H23N3OS/c1-2-21-20(25)23-22-19(24)18-13-16-8-7-14-3-5-15(6-4-14)9-11-17(18)12-10-16/h3-6,10,12-13H,2,7-9,11H2,1H3,(H,22,24)(H2,21,23,25)
SMILES	CCNC(=S)NNC(=O)c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key	QCROPDZMEXJRNG-UHFFFAOYSA-N
Molecular Formula	C20H23N3OS
Exact Mass	353.481 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/QCROPDZMEXJRNG-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/QCROPDZMEXJRNG-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lamiaa Abdelhaleem
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:38:20.522695
MetadataModified	2024-09-08T04:38:20.522701
MetadataPublished	2024-09-01

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
165417019	PubChem
The data in this table is sourced from UniChem at EBI.