CID 1753086

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

Structural Information

Molecular Formula
C17H26N2O
SMILES
CCCCC1=CC=C(C=C1)NC(=O)NC2CCCCC2
InChI
InChI=1S/C17H26N2O/c1-2-3-7-14-10-12-16(13-11-14)19-17(20)18-15-8-5-4-6-9-15/h10-13,15H,2-9H2,1H3,(H2,18,19,20)
InChIKey
QKAHEKCEJBPTBY-UHFFFAOYSA-N
Compound name
1-(4-butylphenyl)-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.2045 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.211776 167.5
[M+Na]+ 297.193718 169.0
[M-H]- 273.197224 172.4
[M+NH4]+ 292.238323 182.5
[M+K]+ 313.167658 165.4
[M+H-H2O]+ 257.201760 159.1
[M+HCOO]- 319.202701 188.0
[M+CH3COO]- 333.218351 203.8
[M+Na-2H]- 295.179166 169.8
[M]+ 274.20395142 162.2
[M]- 274.20504858 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.