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

10
Patents

291.10077 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10805 167.7
[M+Na]+ 314.08999 176.0
[M-H]- 290.09349 173.5
[M+NH4]+ 309.13459 178.2
[M+K]+ 330.06393 170.8
[M+H-H2O]+ 274.09803 156.2
[M+HCOO]- 336.09897 187.6
[M+CH3COO]- 350.11462 178.5
[M+Na-2H]- 312.07544 174.1
[M]+ 291.10022 168.5
[M]- 291.10132 168.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe