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 168.1
[M+Na]+ 297.19372 169.3
[M-H]- 273.19722 173.1
[M+NH4]+ 292.23832 183.1
[M+K]+ 313.16766 166.3
[M+H-H2O]+ 257.20176 159.9
[M+HCOO]- 319.20270 187.6
[M+CH3COO]- 333.21835 204.7
[M+Na-2H]- 295.17917 169.1
[M]+ 274.20395 162.2
[M]- 274.20505 162.2
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.