CID 146114

4'-(p-tolyl)-2,2':6',2''-terpyridine

Structural Information

Molecular Formula
C22H17N3
SMILES
CC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=N3)C4=CC=CC=N4
InChI
InChI=1S/C22H17N3/c1-16-8-10-17(11-9-16)18-14-21(19-6-2-4-12-23-19)25-22(15-18)20-7-3-5-13-24-20/h2-15H,1H3
InChIKey
IDJYBUVHZHLIIT-UHFFFAOYSA-N
Compound name
4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

131
Patents

323.14224 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14952 180.4
[M+Na]+ 346.13146 188.7
[M-H]- 322.13496 188.6
[M+NH4]+ 341.17606 189.2
[M+K]+ 362.10540 180.3
[M+H-H2O]+ 306.13950 167.3
[M+HCOO]- 368.14044 199.8
[M+CH3COO]- 382.15609 190.2
[M+Na-2H]- 344.11691 186.6
[M]+ 323.14169 178.8
[M]- 323.14279 178.8
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