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 168.4
[M+Na]+ 355.02227 176.2
[M-H]- 331.02577 170.2
[M+NH4]+ 350.06687 182.2
[M+K]+ 370.99621 171.9
[M+H-H2O]+ 315.03031 162.7
[M+HCOO]- 377.03125 180.5
[M+CH3COO]- 391.04690 207.5
[M+Na-2H]- 353.00772 169.1
[M]+ 332.03250 175.1
[M]- 332.03360 175.1
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.