CID 3411090

1-(4-chloro-benzyl)-3-(4-chloro-phenyl)-urea

Structural Information

Molecular Formula
C14H12Cl2N2O
SMILES
C1=CC(=CC=C1CNC(=O)NC2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H12Cl2N2O/c15-11-3-1-10(2-4-11)9-17-14(19)18-13-7-5-12(16)6-8-13/h1-8H,9H2,(H2,17,18,19)
InChIKey
VLRPNCASDQIRIT-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[(4-chlorophenyl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.03265 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.039926 164.3
[M+Na]+ 317.021868 172.4
[M-H]- 293.025374 170.3
[M+NH4]+ 312.066473 180.5
[M+K]+ 332.995808 165.7
[M+H-H2O]+ 277.029910 158.2
[M+HCOO]- 339.030851 180.5
[M+CH3COO]- 353.046501 203.0
[M+Na-2H]- 315.007316 169.0
[M]+ 294.03210142 166.4
[M]- 294.03319858 166.4
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.