Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H18N2OS/c1-3-19(4-2)12-9-10-13(15(20)11-12)17-18-14-7-5-6-8-16(14)21-17/h5-11,20H,3-4H2,1-2H3
SMILES	CCN(c1ccc(c(c1)O)c1nc2c(s1)cccc2)CC
InChI Key	ZYCYJFGYAPFPFF-UHFFFAOYSA-N
Molecular Formula	C17H18N2OS
Exact Mass	298.403 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/ZYCYJFGYAPFPFF-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/ZYCYJFGYAPFPFF-UHFFFAOYSA-N/CHMO0000470
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:37:06.950938
MetadataModified	2024-09-07T17:13:19.715695
MetadataPublished	2020-02-28

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
ZINC000003649838	ZINC
SCHEMBL5975776	SureChEMBL
193939	PubChem
142584	Brenda
J3.361.461F	Nikkaji
The data in this table is sourced from UniChem at EBI.