CID 15903886

158014-74-5

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	354.12370	185.4
[M+Na]+	376.10564	204.0
[M+NH4]+	371.15024	192.5
[M+K]+	392.07958	194.9
[M-H]-	352.10914	192.6
[M+Na-2H]-	374.09109	198.9
[M]+	353.11587	190.3
[M]-	353.11697	190.3

Literature stripe

literature stripe

Patent stripe

patents stripe