CID 157085

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.07166 Da
Monoisotopic Mass

3.6
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

No literature data available for this compound.

Patent stripe

patents stripe