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]+ 275.21178 167.5
[M+Na]+ 297.19372 169.0
[M-H]- 273.19722 172.4
[M+NH4]+ 292.23832 182.5
[M+K]+ 313.16766 165.4
[M+H-H2O]+ 257.20176 159.1
[M+HCOO]- 319.20270 188.0
[M+CH3COO]- 333.21835 203.8
[M+Na-2H]- 295.17917 169.8
[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.