CID 293486

102433-32-9

Structural Information

Molecular Formula
C11H14Cl2N2O3
SMILES
COC1=CC(=C(C=C1NC(=O)NCCCl)Cl)OC
InChI
InChI=1S/C11H14Cl2N2O3/c1-17-9-6-10(18-2)8(5-7(9)13)15-11(16)14-4-3-12/h5-6H,3-4H2,1-2H3,(H2,14,15,16)
InChIKey
DTHACPQQNIRYMS-UHFFFAOYSA-N
Compound name
1-(5-chloro-2,4-dimethoxyphenyl)-3-(2-chloroethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

292.03815 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.04543 161.5
[M+Na]+ 315.02737 170.2
[M-H]- 291.03087 165.0
[M+NH4]+ 310.07197 178.4
[M+K]+ 331.00131 165.9
[M+H-H2O]+ 275.03541 156.8
[M+HCOO]- 337.03635 177.8
[M+CH3COO]- 351.05200 203.7
[M+Na-2H]- 313.01282 164.7
[M]+ 292.03760 167.8
[M]- 292.03870 167.8
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