CID 3418000

3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea

Structural Information

Molecular Formula
C14H12Cl2N2O
SMILES
CN(C1=CC=CC=C1)C(=O)NC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C14H12Cl2N2O/c1-18(11-5-3-2-4-6-11)14(19)17-13-9-10(15)7-8-12(13)16/h2-9H,1H3,(H,17,19)
InChIKey
KHFXQWIBKKSFOD-UHFFFAOYSA-N
Compound name
3-(2,5-dichlorophenyl)-1-methyl-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

294.03265 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.039926 164.3
[M+Na]+ 317.021868 172.5
[M-H]- 293.025374 171.7
[M+NH4]+ 312.066473 181.1
[M+K]+ 332.995808 167.2
[M+H-H2O]+ 277.029910 158.0
[M+HCOO]- 339.030851 181.0
[M+CH3COO]- 353.046501 206.3
[M+Na-2H]- 315.007316 168.3
[M]+ 294.03210142 167.7
[M]- 294.03319858 167.7
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.