CID 295409

N-(5-chloro-2-methoxyphenyl)-n'-(3,4-dichlorophenyl)urea

Structural Information

Molecular Formula
C14H11Cl3N2O2
SMILES
COC1=C(C=C(C=C1)Cl)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H11Cl3N2O2/c1-21-13-5-2-8(15)6-12(13)19-14(20)18-9-3-4-10(16)11(17)7-9/h2-7H,1H3,(H2,18,19,20)
InChIKey
ZYKXFGUTFYEAPK-UHFFFAOYSA-N
Compound name
1-(5-chloro-2-methoxyphenyl)-3-(3,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.98862 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.99590 173.0
[M+Na]+ 366.97784 182.6
[M-H]- 342.98134 178.4
[M+NH4]+ 362.02244 187.7
[M+K]+ 382.95178 176.2
[M+H-H2O]+ 326.98588 167.9
[M+HCOO]- 388.98682 183.9
[M+CH3COO]- 403.00247 212.1
[M+Na-2H]- 364.96329 175.2
[M]+ 343.98807 177.6
[M]- 343.98917 177.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.