CID 730414

1-(4-chlorophenyl)-3-(p-tolyl)urea

Structural Information

Molecular Formula
C14H13ClN2O
SMILES
CC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H13ClN2O/c1-10-2-6-12(7-3-10)16-14(18)17-13-8-4-11(15)5-9-13/h2-9H,1H3,(H2,16,17,18)
InChIKey
KPSSOXIQJMVHAH-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

21
Patents

260.07166 Da
Monoisotopic Mass

3.5
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

patents stripe