CID 853588

1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)urea

Structural Information

Molecular Formula
C14H12Cl2N2O2
SMILES
COC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H12Cl2N2O2/c1-20-11-5-2-9(3-6-11)17-14(19)18-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H2,17,18,19)
InChIKey
VMXUECFVYARUGP-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

310.0276 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.03488 167.3
[M+Na]+ 333.01682 181.9
[M+NH4]+ 328.06142 175.6
[M+K]+ 348.99076 173.5
[M-H]- 309.02032 172.3
[M+Na-2H]- 331.00227 176.1
[M]+ 310.02705 171.4
[M]- 310.02815 171.4
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

patents stripe