CID 310737

Ethyl 4-(3-(2,4-dichlorophenyl)ureido)benzoate

Structural Information

Molecular Formula
C16H14Cl2N2O3
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C16H14Cl2N2O3/c1-2-23-15(21)10-3-6-12(7-4-10)19-16(22)20-14-8-5-11(17)9-13(14)18/h3-9H,2H2,1H3,(H2,19,20,22)
InChIKey
FILWLKBAVJRJLG-UHFFFAOYSA-N
Compound name
ethyl 4-[(2,4-dichlorophenyl)carbamoylamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.03815 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.045426 177.5
[M+Na]+ 375.027368 185.5
[M-H]- 351.030874 183.9
[M+NH4]+ 370.071973 191.5
[M+K]+ 391.001308 179.8
[M+H-H2O]+ 335.035410 171.2
[M+HCOO]- 397.036351 192.9
[M+CH3COO]- 411.052001 213.7
[M+Na-2H]- 373.012816 179.6
[M]+ 352.03760142 182.3
[M]- 352.03869858 182.3
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.