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]+ 289.11022 167.2
[M+Na]+ 311.09216 173.7
[M-H]- 287.09566 173.8
[M+NH4]+ 306.13676 183.1
[M+K]+ 327.06610 168.4
[M+H-H2O]+ 271.10020 160.1
[M+HCOO]- 333.10114 186.9
[M+CH3COO]- 347.11679 205.5
[M+Na-2H]- 309.07761 170.5
[M]+ 288.10239 168.0
[M]- 288.10349 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.