CID 10589647

247058-06-6

Structural Information

Molecular Formula

C₁₇H₁₃N₃O₂

SMILES

COC(=O)C1=CC(=NC(=C1)C2=CC=CC=N2)C3=CC=CC=N3

InChI

InChI=1S/C17H13N3O2/c1-22-17(21)12-10-15(13-6-2-4-8-18-13)20-16(11-12)14-7-3-5-9-19-14/h2-11H,1H3

InChIKey

GEXSUZVSFVGSMZ-UHFFFAOYSA-N

Compound name

methyl 2,6-dipyridin-2-ylpyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 291.10077 Da
Monoisotopic Mass: 2.0
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]+	292.108046	167.7
[M+Na]+	314.089988	176.0
[M-H]-	290.093494	173.5
[M+NH4]+	309.134593	178.2
[M+K]+	330.063928	170.8
[M+H-H2O]+	274.098030	156.2
[M+HCOO]-	336.098971	187.6
[M+CH3COO]-	350.114621	178.5
[M+Na-2H]-	312.075436	174.1
[M]+	291.10022142	168.5
[M]-	291.10131858	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe