Dataset

METHYL 2-(4,6-DIPHENYL-2-PYRIMIDINYLAMINO)BENZOATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005078 contains the MS mass spectrum of METHYL 2-(4,6-DIPHENYL-2-PYRIMIDINYLAMINO)BENZOATE with the InChIkey XOQLGPYABGAZCJ-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H19N3O2/c1-29-23(28)19-14-8-9-15-20(19)25-24-26-21(17-10-4-2-5-11-17)16-22(27-24)18-12-6-3-7-13-18/h2-16H,1H3,(H,25,26,27)
SMILES COC(=O)c(c4)c(ccc4)Nc(n1)nc(c(c3)cccc3)cc(c(c2)cccc2)1
InChI Key XOQLGPYABGAZCJ-UHFFFAOYSA-N
Molecular Formula C24H19N3O2
Exact Mass 381.148 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP005078
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:05.229451
MetadataModified 2024-01-11T15:55:05.399990
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000002473115 ZINC
J183.723K Nikkaji
629463 PubChem
MCULE-3734641258 Mcule
CHEMBL4905582 ChEMBL
2051696 eMolecules
The data in this table is sourced from UniChem at EBI.