CID 4358

N-cyclohexyl-n'-(propyl)phenyl urea

Structural Information

Molecular Formula
C16H24N2O
SMILES
C1CCC(CC1)NC(=O)NCCCC2=CC=CC=C2
InChI
InChI=1S/C16H24N2O/c19-16(18-15-11-5-2-6-12-15)17-13-7-10-14-8-3-1-4-9-14/h1,3-4,8-9,15H,2,5-7,10-13H2,(H2,17,18,19)
InChIKey
HBTZVNKXMFGOOJ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(3-phenylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

49
Patents

260.18887 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19615 162.6
[M+Na]+ 283.17809 163.6
[M-H]- 259.18159 167.3
[M+NH4]+ 278.22269 177.9
[M+K]+ 299.15203 160.2
[M+H-H2O]+ 243.18613 154.2
[M+HCOO]- 305.18707 183.5
[M+CH3COO]- 319.20272 199.7
[M+Na-2H]- 281.16354 166.2
[M]+ 260.18832 156.6
[M]- 260.18942 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe