CID 218528

Urea, 1-(4-heptyl)-3-phenyl-

Structural Information

Molecular Formula
C14H22N2O
SMILES
CCCC(CCC)NC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C14H22N2O/c1-3-8-12(9-4-2)15-14(17)16-13-10-6-5-7-11-13/h5-7,10-12H,3-4,8-9H2,1-2H3,(H2,15,16,17)
InChIKey
HROYHGLRZADUTR-UHFFFAOYSA-N
Compound name
1-heptan-4-yl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.17322 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.18050 158.6
[M+Na]+ 257.16244 167.8
[M+NH4]+ 252.20704 165.8
[M+K]+ 273.13638 161.3
[M-H]- 233.16594 161.0
[M+Na-2H]- 255.14789 164.0
[M]+ 234.17267 160.3
[M]- 234.17377 160.3
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.