CID 11438308

4'-(4-pyridyl)-2,2':6',2''-terpyridine

Structural Information

Molecular Formula
C20H14N4
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=NC=C4
InChI
InChI=1S/C20H14N4/c1-3-9-22-17(5-1)19-13-16(15-7-11-21-12-8-15)14-20(24-19)18-6-2-4-10-23-18/h1-14H
InChIKey
DPPKPCLKZOLTMB-UHFFFAOYSA-N
Compound name
2,6-dipyridin-2-yl-4-pyridin-4-ylpyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

11
Patents

310.12186 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.12914 175.6
[M+Na]+ 333.11108 183.9
[M-H]- 309.11458 182.3
[M+NH4]+ 328.15568 183.2
[M+K]+ 349.08502 175.4
[M+H-H2O]+ 293.11912 161.9
[M+HCOO]- 355.12006 194.2
[M+CH3COO]- 369.13571 185.1
[M+Na-2H]- 331.09653 183.8
[M]+ 310.12131 173.3
[M]- 310.12241 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe