CID 307047

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

Structural Information

Molecular Formula
C15H14Cl2N2O
SMILES
CCC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H14Cl2N2O/c1-2-10-3-5-11(6-4-10)18-15(20)19-12-7-8-13(16)14(17)9-12/h3-9H,2H2,1H3,(H2,18,19,20)
InChIKey
IXJKRUZGUMHWOX-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(4-ethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

308.0483 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05558 169.1
[M+Na]+ 331.03752 177.7
[M-H]- 307.04102 175.3
[M+NH4]+ 326.08212 185.0
[M+K]+ 347.01146 170.8
[M+H-H2O]+ 291.04556 163.0
[M+HCOO]- 353.04650 185.0
[M+CH3COO]- 367.06215 207.1
[M+Na-2H]- 329.02297 172.5
[M]+ 308.04775 172.0
[M]- 308.04885 172.0
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