CID 251526

N-(3,4-dichlorophenyl)-n'-[4-(dimethylamino)phenyl]urea

Structural Information

Molecular Formula
C15H15Cl2N3O
SMILES
CN(C)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H15Cl2N3O/c1-20(2)12-6-3-10(4-7-12)18-15(21)19-11-5-8-13(16)14(17)9-11/h3-9H,1-2H3,(H2,18,19,21)
InChIKey
XGTAPVXCNPAWBA-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.0592 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.06648 174.1
[M+Na]+ 346.04842 181.9
[M-H]- 322.05192 181.6
[M+NH4]+ 341.09302 189.6
[M+K]+ 362.02236 176.5
[M+H-H2O]+ 306.05646 167.4
[M+HCOO]- 368.05740 191.4
[M+CH3COO]- 382.07305 215.4
[M+Na-2H]- 344.03387 177.0
[M]+ 323.05865 177.6
[M]- 323.05975 177.6
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.