This information is based on the molecular structure shown on the left side. For a decoupled sample, please refer to its individual details.

Formula: C20H16N4O2


Canonical SMILES:
CCCn1c(nc2c1cc(C#N)c(c2)C#N)c1ccc(cc1)C(=O)OC
InChI:
InChI=1S/C20H16N4O2/c1-3-8-24-18-10-16(12-22)15(11-21)9-17(18)23-19(24)13-4-6-14(7-5-13)20(25)26-2/h4-7,9-10H,3,8H2,1-2H3
InChIKey:
DXIBAQPVFFVWMB-UHFFFAOYSA-N
Exact Mass:
Crosslinks:   


Published on 2025-03-07This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.

 

mass spectrometry (MS) 
Authors: Lukas Langer1 - Martin Nieger2,3

1. IOC, Karlsruhe Institute of Technology, Deutschland

2. University of Helsinki, Finland

3. Chemisty, University of Helsinki, Finland

Analysis DOI:
Analysis ID:
Content:   
MS (FAB, 3-NBA), m/z (%): 345 (5) [M+H]+, 177 (13), 175 (8), 133 (47), 131 (10), 113 (5), 89 (100), 88 (7), 87 (44). HRMS–FAB (m/z): [C20H16O2N4+H]+ calcd 345.1346; found 345.1347.
Datasets