CID 2787282

N-(4-chlorophenyl)-n'-(2-methylphenyl)urea

Structural Information

Molecular Formula
C14H13ClN2O
SMILES
CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H13ClN2O/c1-10-4-2-3-5-13(10)17-14(18)16-12-8-6-11(15)7-9-12/h2-9H,1H3,(H2,16,17,18)
InChIKey
ALYDDYRVYLNXDG-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

260.07166 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.078936 157.8
[M+Na]+ 283.060878 165.6
[M-H]- 259.064384 164.7
[M+NH4]+ 278.105483 175.0
[M+K]+ 299.034818 160.2
[M+H-H2O]+ 243.068920 151.0
[M+HCOO]- 305.069861 179.2
[M+CH3COO]- 319.085511 198.6
[M+Na-2H]- 281.046326 163.4
[M]+ 260.07111142 158.6
[M]- 260.07220858 158.6
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

No patent data available for this compound.