CID 619151

Diethyl 2-{[(6-methoxypyridin-3-yl)amino]methylene}malonate

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₅

SMILES

CCOC(=O)C(=CNC1=CN=C(C=C1)OC)C(=O)OCC

InChI

InChI=1S/C14H18N2O5/c1-4-20-13(17)11(14(18)21-5-2)9-15-10-6-7-12(19-3)16-8-10/h6-9,15H,4-5H2,1-3H3

InChIKey

FJDMNLFVZHBIHR-UHFFFAOYSA-N

Compound name

diethyl 2-[[(6-methoxy-3-pyridinyl)amino]methylidene]propanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 294.12158 Da
Monoisotopic Mass: 2.5
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]+	295.128856	166.8
[M+Na]+	317.110798	172.0
[M-H]-	293.114304	168.6
[M+NH4]+	312.155403	180.2
[M+K]+	333.084738	171.3
[M+H-H2O]+	277.118840	158.6
[M+HCOO]-	339.119781	188.2
[M+CH3COO]-	353.135431	203.5
[M+Na-2H]-	315.096246	168.7
[M]+	294.12103142	171.6
[M]-	294.12212858	171.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe