CID 2762749

2,2':6',2''-terpyridine-4'-carboxylic acid

Structural Information

Molecular Formula
C16H11N3O2
SMILES
C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C(=O)O
InChI
InChI=1S/C16H11N3O2/c20-16(21)11-9-14(12-5-1-3-7-17-12)19-15(10-11)13-6-2-4-8-18-13/h1-10H,(H,20,21)
InChIKey
ZYTWXMBGOUJDHJ-UHFFFAOYSA-N
Compound name
2,6-dipyridin-2-ylpyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

32
Patents

277.0851 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09238 163.1
[M+Na]+ 300.07432 171.3
[M-H]- 276.07782 167.7
[M+NH4]+ 295.11892 173.4
[M+K]+ 316.04826 165.5
[M+H-H2O]+ 260.08236 152.2
[M+HCOO]- 322.08330 181.9
[M+CH3COO]- 336.09895 173.6
[M+Na-2H]- 298.05977 169.7
[M]+ 277.08455 161.9
[M]- 277.08565 161.9
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