CID 5061597

N-(4-sec-butylphenyl)-n'-cyclohexylurea

Structural Information

Molecular Formula
C17H26N2O
SMILES
CCC(C)C1=CC=C(C=C1)NC(=O)NC2CCCCC2
InChI
InChI=1S/C17H26N2O/c1-3-13(2)14-9-11-16(12-10-14)19-17(20)18-15-7-5-4-6-8-15/h9-13,15H,3-8H2,1-2H3,(H2,18,19,20)
InChIKey
IHHCYNCBOYLATG-UHFFFAOYSA-N
Compound name
1-(4-butan-2-ylphenyl)-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.21178 169.5
[M+Na]+ 297.19372 178.7
[M+NH4]+ 292.23832 177.3
[M+K]+ 313.16766 171.8
[M-H]- 273.19722 174.2
[M+Na-2H]- 295.17917 175.5
[M]+ 274.20395 171.8
[M]- 274.20505 171.8
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.