CID 713009

N-(3-chlorophenyl)-n'-(4-isopropylphenyl)urea

Structural Information

Molecular Formula
C16H17ClN2O
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C16H17ClN2O/c1-11(2)12-6-8-14(9-7-12)18-16(20)19-15-5-3-4-13(17)10-15/h3-11H,1-2H3,(H2,18,19,20)
InChIKey
YVKOKRXHGWUJJL-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(4-propan-2-ylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.10294 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.110216 167.2
[M+Na]+ 311.092158 173.7
[M-H]- 287.095664 173.8
[M+NH4]+ 306.136763 183.1
[M+K]+ 327.066098 168.4
[M+H-H2O]+ 271.100200 160.1
[M+HCOO]- 333.101141 186.9
[M+CH3COO]- 347.116791 205.5
[M+Na-2H]- 309.077606 170.5
[M]+ 288.10239142 168.0
[M]- 288.10348858 168.0
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.