CID 4153324

N-cyclohexyl-n'-(cyclohexylmethyl)urea

Structural Information

Molecular Formula
C14H26N2O
SMILES
C1CCC(CC1)CNC(=O)NC2CCCCC2
InChI
InChI=1S/C14H26N2O/c17-14(16-13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h12-13H,1-11H2,(H2,15,16,17)
InChIKey
PMBPKSGAGUUSQE-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(cyclohexylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

238.20451 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.21179 158.3
[M+Na]+ 261.19373 157.0
[M-H]- 237.19723 162.2
[M+NH4]+ 256.23833 174.2
[M+K]+ 277.16767 154.8
[M+H-H2O]+ 221.20177 150.3
[M+HCOO]- 283.20271 175.4
[M+CH3COO]- 297.21836 194.8
[M+Na-2H]- 259.17918 159.9
[M]+ 238.20396 147.2
[M]- 238.20506 147.2
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