CID 853056

N-(4-chlorophenyl)-n'-[4-(dimethylamino)phenyl]urea

Structural Information

Molecular Formula
C15H16ClN3O
SMILES
CN(C)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H16ClN3O/c1-19(2)14-9-7-13(8-10-14)18-15(20)17-12-5-3-11(16)4-6-12/h3-10H,1-2H3,(H2,17,18,20)
InChIKey
NUCAQTHKYWOPED-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[4-(dimethylamino)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

289.09818 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.105456 167.0
[M+Na]+ 312.087398 173.5
[M-H]- 288.090904 175.0
[M+NH4]+ 307.132003 183.1
[M+K]+ 328.061338 169.3
[M+H-H2O]+ 272.095440 159.3
[M+HCOO]- 334.096381 189.5
[M+CH3COO]- 348.112031 210.1
[M+Na-2H]- 310.072846 171.6
[M]+ 289.09763142 168.6
[M]- 289.09872858 168.6
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

patents stripe