CID 734384

N-(3-chlorophenyl)-n'-(3,5-dimethylphenyl)urea

Structural Information

Molecular Formula
C15H15ClN2O
SMILES
CC1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)Cl)C
InChI
InChI=1S/C15H15ClN2O/c1-10-6-11(2)8-14(7-10)18-15(19)17-13-5-3-4-12(16)9-13/h3-9H,1-2H3,(H2,17,18,19)
InChIKey
DMAHKSZZJJTIQZ-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(3,5-dimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

274.08728 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.09456 162.6
[M+Na]+ 297.07650 170.8
[M-H]- 273.08000 169.7
[M+NH4]+ 292.12110 179.5
[M+K]+ 313.05044 165.3
[M+H-H2O]+ 257.08454 155.8
[M+HCOO]- 319.08548 183.6
[M+CH3COO]- 333.10113 202.8
[M+Na-2H]- 295.06195 166.9
[M]+ 274.08673 164.1
[M]- 274.08783 164.1
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