CID 19096872

145592-12-7

Structural Information

Molecular Formula
C13H15Cl2NO4
SMILES
CCOC(=O)C(C)(C(=O)NC1=CC(=CC(=C1)Cl)Cl)OC
InChI
InChI=1S/C13H15Cl2NO4/c1-4-20-12(18)13(2,19-3)11(17)16-10-6-8(14)5-9(15)7-10/h5-7H,4H2,1-3H3,(H,16,17)
InChIKey
ASLSNDASZMGIDE-UHFFFAOYSA-N
Compound name
ethyl 3-(3,5-dichloroanilino)-2-methoxy-2-methyl-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

319.0378 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.04508 167.7
[M+Na]+ 342.02702 178.8
[M+NH4]+ 337.07162 173.8
[M+K]+ 358.00096 173.8
[M-H]- 318.03052 167.6
[M+Na-2H]- 340.01247 171.9
[M]+ 319.03725 169.6
[M]- 319.03835 169.6
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