CID 711275

3-(4-chlorophenyl)-1-methyl-1-phenylurea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

260.07166 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.078936 157.9
[M+Na]+ 283.060878 164.8
[M-H]- 259.064384 165.8
[M+NH4]+ 278.105483 175.3
[M+K]+ 299.034818 160.7
[M+H-H2O]+ 243.068920 150.6
[M+HCOO]- 305.069861 179.7
[M+CH3COO]- 319.085511 200.8
[M+Na-2H]- 281.046326 163.4
[M]+ 260.07111142 159.5
[M]- 260.07220858 159.5
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