CID 12227215

1762-46-5

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₄

SMILES

CCOC(=O)C1=CN=C(C=C1)C2=NC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C16H16N2O4/c1-3-21-15(19)11-5-7-13(17-9-11)14-8-6-12(10-18-14)16(20)22-4-2/h5-10H,3-4H2,1-2H3

InChIKey

IUNBUYCOAQHBMC-UHFFFAOYSA-N

Compound name

ethyl 6-(5-ethoxycarbonylpyridin-2-yl)pyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 300.111 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]+	301.11828	168.5
[M+Na]+	323.10022	181.8
[M+NH4]+	318.14482	174.0
[M+K]+	339.07416	176.2
[M-H]-	299.10372	170.1
[M+Na-2H]-	321.08567	175.7
[M]+	300.11045	170.7
[M]-	300.11155	170.7

Literature stripe

literature stripe

Patent stripe

patents stripe