CID 5083445

1-butyl-3-(2-chlorophenyl)-1-phenylurea

Structural Information

Molecular Formula
C17H19ClN2O
SMILES
CCCCN(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2Cl
InChI
InChI=1S/C17H19ClN2O/c1-2-3-13-20(14-9-5-4-6-10-14)17(21)19-16-12-8-7-11-15(16)18/h4-12H,2-3,13H2,1H3,(H,19,21)
InChIKey
JCDSXDAQVQSVGB-UHFFFAOYSA-N
Compound name
1-butyl-3-(2-chlorophenyl)-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1186 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12588 171.9
[M+Na]+ 325.10782 185.4
[M+NH4]+ 320.15242 180.6
[M+K]+ 341.08176 176.6
[M-H]- 301.11132 177.8
[M+Na-2H]- 323.09327 181.3
[M]+ 302.11805 175.8
[M]- 302.11915 175.8
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.