CID 297788

1-(4-butylcyclohexyl)-3-phenylurea

Structural Information

Molecular Formula
C17H26N2O
SMILES
CCCCC1CCC(CC1)NC(=O)NC2=CC=CC=C2
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/h4-6,8-9,14,16H,2-3,7,10-13H2,1H3,(H2,18,19,20)
InChIKey
VJLBROGHIMVHOC-UHFFFAOYSA-N
Compound name
1-(4-butylcyclohexyl)-3-phenylurea
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 169.5
[M+Na]+ 297.19372 179.1
[M+NH4]+ 292.23832 177.5
[M+K]+ 313.16766 171.4
[M-H]- 273.19722 174.5
[M+Na-2H]- 295.17917 175.9
[M]+ 274.20395 172.0
[M]- 274.20505 172.0
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.