Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C15H21N3O6/c1-4-22-13(19)7-10(16)8(14(20)23-5-2)12(18)9(11(7)17)15(21)24-6-3/h4-6,16-18H2,1-3H3
SMILES	CCOC(=O)c1c(N)c(C(=O)OCC)c(c(c1N)C(=O)OCC)N
InChI Key	HCVSNXJKNAAQBQ-UHFFFAOYSA-N
Molecular Formula	C15H21N3O6
Exact Mass	339.344 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/HCVSNXJKNAAQBQ-UHFFFAOYSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/HCVSNXJKNAAQBQ-UHFFFAOYSA-N/CHMO0000498
Version
Author	Lisa Schmidt
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:49:39.799934
MetadataModified	2024-09-07T22:22:42.435702
MetadataPublished	2022-06-23

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
163407581	PubChem
The data in this table is sourced from UniChem at EBI.