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 158.5
[M+Na]+ 257.16244 161.9
[M-H]- 233.16594 161.2
[M+NH4]+ 252.20704 175.5
[M+K]+ 273.13638 159.5
[M+H-H2O]+ 217.17048 151.1
[M+HCOO]- 279.17142 181.9
[M+CH3COO]- 293.18707 197.7
[M+Na-2H]- 255.14789 162.0
[M]+ 234.17267 158.0
[M]- 234.17377 158.0
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

patents stripe