CID 581390

1-benzyl-3-(3-chlorophenyl)urea

Structural Information

Molecular Formula
C14H13ClN2O
SMILES
C1=CC=C(C=C1)CNC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H13ClN2O/c15-12-7-4-8-13(9-12)17-14(18)16-10-11-5-2-1-3-6-11/h1-9H,10H2,(H2,16,17,18)
InChIKey
BEWJVMWOMDSJLP-UHFFFAOYSA-N
Compound name
1-benzyl-3-(3-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

260.07166 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.078936 157.6
[M+Na]+ 283.060878 164.4
[M-H]- 259.064384 164.0
[M+NH4]+ 278.105483 174.3
[M+K]+ 299.034818 158.9
[M+H-H2O]+ 243.068920 150.5
[M+HCOO]- 305.069861 178.9
[M+CH3COO]- 319.085511 197.4
[M+Na-2H]- 281.046326 163.9
[M]+ 260.07111142 157.9
[M]- 260.07220858 157.9
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