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 166.3
[M+Na]+ 342.02702 174.6
[M-H]- 318.03052 169.8
[M+NH4]+ 337.07162 182.2
[M+K]+ 358.00096 170.7
[M+H-H2O]+ 302.03506 162.1
[M+HCOO]- 364.03600 179.0
[M+CH3COO]- 378.05165 205.8
[M+Na-2H]- 340.01247 168.9
[M]+ 319.03725 173.5
[M]- 319.03835 173.5
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