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]+ 295.03993 164.3
[M+Na]+ 317.02187 172.5
[M-H]- 293.02537 171.7
[M+NH4]+ 312.06647 181.1
[M+K]+ 332.99581 167.2
[M+H-H2O]+ 277.02991 158.0
[M+HCOO]- 339.03085 181.0
[M+CH3COO]- 353.04650 206.3
[M+Na-2H]- 315.00732 168.3
[M]+ 294.03210 167.7
[M]- 294.03320 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.