Dataset

11-(6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-chloro-1,3,5-triazin-2-yl)-7,11- diazatricyclo[7.3.1.0<2,7>]trideca-2,4-dien-6-one

This MassBank record with Accession MSBNK-Washington_State_Univ-BML01690 contains the MS2 mass spectrum of 11-(6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4-chloro-1,3,5-triazin-2-yl)-7,11- diazatricyclo[7.3.1.0]trideca-2,4-dien-6-one with the InChIkey DRVRFMGQMHIZLI-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C24H27ClN6O3/c1-33-19-7-6-15(11-20(19)34-2)8-9-26-23-27-22(25)28-24(29-23)30-12-16-10-17(14-30)18-4-3-5-21(32)31(18)13-16/h3-7,11,16-17H,8-10,12-14H2,1-2H3,(H,26,27,28,29)
SMILES COC1=C(C=C(C=C1)CCNC2=NC(=NC(=N2)N3CC4CC(C3)C5=CC=CC(=O)N5C4)Cl)OC
InChI Key DRVRFMGQMHIZLI-UHFFFAOYSA-N
Molecular Formula C24H27ClN6O3
Exact Mass 482.183 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01690
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:26:52.361510
MetadataModified 2024-01-11T22:26:52.533157
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
3579737 PubChem
6795409 eMolecules
MCULE-4747971110 Mcule
The data in this table is sourced from UniChem at EBI.