Dataset

high-resolution electrospray ionisation mass spectrometry (HRESIMS)

Chemical Info

InChI	InChI=1S/C23H18N4O3/c24-12-16-8-9-17-18(11-16)21-20(30-23(17)28)7-4-10-29-14-19-22(21)27(26-25-19)13-15-5-2-1-3-6-15/h1-3,5-6,8-9,11H,4,7,10,13-14H2
SMILES	N#Cc1ccc2c(c1)c1-c3c(COCCCc1oc2=O)nnn3Cc1ccccc1
InChI Key	OWPKAYOROURHTL-UHFFFAOYSA-N
Molecular Formula	C23H18N4O3
Exact Mass	398.414 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/OWPKAYOROURHTL-UHFFFAOYSA-N/CHMO0000485
License URL
Source	https://www.chemotion-repository.net/inchikey/OWPKAYOROURHTL-UHFFFAOYSA-N/CHMO0000485
Version
Author	Irina Balova
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:04:18.114261
MetadataModified	2024-09-08T01:04:18.114268
MetadataPublished	2023-06-02

Field	Value
Measurement Technique	high-resolution electrospray ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168301083	PubChem
The data in this table is sourced from UniChem at EBI.