CID 15903886

4-([2,2':6',2''-terpyridin]-4'-yl)benzoic acid

Structural Information

Molecular Formula
C22H15N3O2
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C22H15N3O2/c26-22(27)16-9-7-15(8-10-16)17-13-20(18-5-1-3-11-23-18)25-21(14-17)19-6-2-4-12-24-19/h1-14H,(H,26,27)
InChIKey
RPRRPKJKACRJDD-UHFFFAOYSA-N
Compound name
4-(2,6-dipyridin-2-ylpyridin-4-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

353.11642 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.12370 185.2
[M+Na]+ 376.10564 192.7
[M-H]- 352.10914 192.5
[M+NH4]+ 371.15024 191.8
[M+K]+ 392.07958 185.0
[M+H-H2O]+ 336.11368 172.4
[M+HCOO]- 398.11462 202.8
[M+CH3COO]- 412.13027 194.1
[M+Na-2H]- 374.09109 190.2
[M]+ 353.11587 183.4
[M]- 353.11697 183.4
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