CID 218539

1-phenyl-3-(2-propylpentyl)urea

Structural Information

Molecular Formula
C15H24N2O
SMILES
CCCC(CCC)CNC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C15H24N2O/c1-3-8-13(9-4-2)12-16-15(18)17-14-10-6-5-7-11-14/h5-7,10-11,13H,3-4,8-9,12H2,1-2H3,(H2,16,17,18)
InChIKey
MABXFDLYRFETMK-UHFFFAOYSA-N
Compound name
1-phenyl-3-(2-propylpentyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.18886 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.196136 163.1
[M+Na]+ 271.178078 166.0
[M-H]- 247.181584 165.5
[M+NH4]+ 266.222683 179.5
[M+K]+ 287.152018 163.4
[M+H-H2O]+ 231.186120 155.5
[M+HCOO]- 293.187061 186.1
[M+CH3COO]- 307.202711 200.8
[M+Na-2H]- 269.163526 166.0
[M]+ 248.18831142 162.9
[M]- 248.18940858 162.9
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.