CID 2260135

26832-89-3

Structural Information

Molecular Formula
C14H15Cl2NO4
SMILES
CCOC(=O)C(=CNC1=CC(=C(C=C1)Cl)Cl)C(=O)OCC
InChI
InChI=1S/C14H15Cl2NO4/c1-3-20-13(18)10(14(19)21-4-2)8-17-9-5-6-11(15)12(16)7-9/h5-8,17H,3-4H2,1-2H3
InChIKey
DHZNLQFWLQFGPR-UHFFFAOYSA-N
Compound name
diethyl 2-[(3,4-dichloroanilino)methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

331.0378 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.04508 169.8
[M+Na]+ 354.02702 177.4
[M-H]- 330.03052 173.0
[M+NH4]+ 349.07162 185.1
[M+K]+ 370.00096 172.8
[M+H-H2O]+ 314.03506 165.2
[M+HCOO]- 376.03600 183.0
[M+CH3COO]- 390.05165 207.8
[M+Na-2H]- 352.01247 169.9
[M]+ 331.03725 176.6
[M]- 331.03835 176.6
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

patents stripe