CID 326419

71071-46-0

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₄

SMILES

COC(=O)C1=CC(=NC=C1)C2=NC=CC(=C2)C(=O)OC

InChI

InChI=1S/C14H12N2O4/c1-19-13(17)9-3-5-15-11(7-9)12-8-10(4-6-16-12)14(18)20-2/h3-8H,1-2H3

InChIKey

HBWBVIDKBKOVEX-UHFFFAOYSA-N

Compound name

methyl 2-(4-methoxycarbonylpyridin-2-yl)pyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 177
Patents: 272.0797 Da
Monoisotopic Mass: 1.2
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]+	273.08698	159.6
[M+Na]+	295.06892	173.4
[M+NH4]+	290.11352	165.5
[M+K]+	311.04286	168.2
[M-H]-	271.07242	161.2
[M+Na-2H]-	293.05437	167.3
[M]+	272.07915	161.9
[M]-	272.08025	161.9

Literature stripe

literature stripe

Patent stripe

patents stripe