CID 4133142

Diethyl (2,6-dichloro-3-pyridylaminomethylene)malonate

Structural Information

Molecular Formula
C13H14Cl2N2O4
SMILES
CCOC(=O)C(=CNC1=C(N=C(C=C1)Cl)Cl)C(=O)OCC
InChI
InChI=1S/C13H14Cl2N2O4/c1-3-20-12(18)8(13(19)21-4-2)7-16-9-5-6-10(14)17-11(9)15/h5-7,16H,3-4H2,1-2H3
InChIKey
HAWCRNYPYOYBBF-UHFFFAOYSA-N
Compound name
diethyl 2-[[(2,6-dichloropyridin-3-yl)amino]methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.03305 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.04033 169.7
[M+Na]+ 355.02227 180.6
[M+NH4]+ 350.06687 174.7
[M+K]+ 370.99621 175.4
[M-H]- 331.02577 168.8
[M+Na-2H]- 353.00772 173.1
[M]+ 332.03250 171.1
[M]- 332.03360 171.1
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

No patent data available for this compound.