Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Info

InChI	InChI=1S/C25H22N2O2/c1-15-12-13-21-20(14-15)22(26-24(28)17-8-4-3-5-9-17)16(2)23-18-10-6-7-11-19(18)25(29)27(21)23/h3-14,16,22-23H,1-2H3,(H,26,28)/t16-,22-,23+/m1/s1
SMILES	Cc1ccc2c(c1)[C@H](NC(=O)c1ccccc1)[C@H]([C@@H]1N2C(=O)c2c1cccc2)C
InChI Key	BQMXHIRXMSGDCD-AVIJNYRZSA-N
Molecular Formula	C25H22N2O2
Exact Mass	382.454 g/mol

Data and Resources

• atmospheric pressure chemical ionisation mass...HTML
  Explore

  • More information
  • Go to resource

• atmospheric-pressur...

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BQMXHIRXMSGDCD-AVIJNYRZSA-N/CHMO0000473
License URL
Source	https://www.chemotion-repository.net/inchikey/BQMXHIRXMSGDCD-AVIJNYRZSA-N/CHMO0000473
Version
Author	Harald Kelm
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:00:19.542345
MetadataModified	2024-09-08T01:00:19.542352
MetadataPublished	2023-05-22

Field	Value
Measurement Technique	atmospheric pressure chemical ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168059115	PubChem
The data in this table is sourced from UniChem at EBI.