CID 250646

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

Structural Information

Molecular Formula
C13H16Cl2N2O
SMILES
C1CCC(CC1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H16Cl2N2O/c14-11-7-6-10(8-12(11)15)17-13(18)16-9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,16,17,18)
InChIKey
CTQQFHWHCWJZON-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(3,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

286.06396 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.071236 164.2
[M+Na]+ 309.053178 169.7
[M-H]- 285.056684 169.2
[M+NH4]+ 304.097783 180.4
[M+K]+ 325.027118 163.7
[M+H-H2O]+ 269.061220 158.3
[M+HCOO]- 331.062161 176.4
[M+CH3COO]- 345.077811 201.1
[M+Na-2H]- 307.038626 166.4
[M]+ 286.06341142 161.6
[M]- 286.06450858 161.6
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

patents stripe