CID 307049

1-benzyl-3-(3,4-dichlorophenyl)-1-methylurea

Structural Information

Molecular Formula
C15H14Cl2N2O
SMILES
CN(CC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H14Cl2N2O/c1-19(10-11-5-3-2-4-6-11)15(20)18-12-7-8-13(16)14(17)9-12/h2-9H,10H2,1H3,(H,18,20)
InChIKey
BPUNHRDHFGRLOS-UHFFFAOYSA-N
Compound name
1-benzyl-3-(3,4-dichlorophenyl)-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.0483 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.05558 169.0
[M+Na]+ 331.03752 183.7
[M+NH4]+ 326.08212 178.0
[M+K]+ 347.01146 174.8
[M-H]- 307.04102 174.7
[M+Na-2H]- 329.02297 178.4
[M]+ 308.04775 173.3
[M]- 308.04885 173.3
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

No patent data available for this compound.