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]+ 290.10546 167.0
[M+Na]+ 312.08740 173.5
[M-H]- 288.09090 175.0
[M+NH4]+ 307.13200 183.1
[M+K]+ 328.06134 169.3
[M+H-H2O]+ 272.09544 159.3
[M+HCOO]- 334.09638 189.5
[M+CH3COO]- 348.11203 210.1
[M+Na-2H]- 310.07285 171.6
[M]+ 289.09763 168.6
[M]- 289.09873 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