Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C28H48N2O2/c1-21(31-29-25(3,4)17-11-18-26(29,5)6)23-13-15-24(16-14-23)22(2)32-30-27(7,8)19-12-20-28(30,9)10/h13-16,21-22H,11-12,17-20H2,1-10H3
SMILES	CC(c1ccc(cc1)C(ON1C(C)(C)CCCC1(C)C)C)ON1C(C)(C)CCCC1(C)C
InChI Key	WMQIFFUHJFOQPZ-UHFFFAOYSA-N
Molecular Formula	C28H48N2O2
Exact Mass	444.693 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WMQIFFUHJFOQPZ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WMQIFFUHJFOQPZ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Isabelle Wessely
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T02:56:31.503922
MetadataModified	2024-09-07T17:39:44.766576
MetadataPublished	2020-04-14

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J817.035E	Nikkaji
22904207	PubChem
SCHEMBL8853589	SureChEMBL
The data in this table is sourced from UniChem at EBI.