CID 4423619

N-cyclohexyl-n'-(1,5-dimethylhexyl)urea

Structural Information

Molecular Formula
C15H30N2O
SMILES
CC(C)CCCC(C)NC(=O)NC1CCCCC1
InChI
InChI=1S/C15H30N2O/c1-12(2)8-7-9-13(3)16-15(18)17-14-10-5-4-6-11-14/h12-14H,4-11H2,1-3H3,(H2,16,17,18)
InChIKey
AUWYSHKCOISDBY-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(6-methylheptan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.23581 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.24309 167.1
[M+Na]+ 277.22503 173.0
[M+NH4]+ 272.26963 173.9
[M+K]+ 293.19897 167.7
[M-H]- 253.22853 168.7
[M+Na-2H]- 275.21048 169.2
[M]+ 254.23526 167.9
[M]- 254.23636 167.9
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.