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]+ 235.180496 158.5
[M+Na]+ 257.162438 161.9
[M-H]- 233.165944 161.2
[M+NH4]+ 252.207043 175.5
[M+K]+ 273.136378 159.5
[M+H-H2O]+ 217.170480 151.1
[M+HCOO]- 279.171421 181.9
[M+CH3COO]- 293.187071 197.7
[M+Na-2H]- 255.147886 162.0
[M]+ 234.17267142 158.0
[M]- 234.17376858 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