CID 11477388

142593-07-5

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₄

SMILES

COC(=O)C1=CC=CC(=N1)C2=NC(=CC=C2)C(=O)OC

InChI

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

InChIKey

YFKCGCGCKIYMIH-UHFFFAOYSA-N

Compound name

methyl 6-(6-methoxycarbonyl-2-pyridinyl)pyridine-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 8
Patents: 272.0797 Da
Monoisotopic Mass: 1.9
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]+	273.086976	159.1
[M+Na]+	295.068918	167.3
[M-H]-	271.072424	163.6
[M+NH4]+	290.113523	172.3
[M+K]+	311.042858	165.2
[M+H-H2O]+	255.076960	149.9
[M+HCOO]-	317.077901	180.0
[M+CH3COO]-	331.093551	196.7
[M+Na-2H]-	293.054366	163.6
[M]+	272.07915142	162.8
[M]-	272.08024858	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe