CID 299691

102433-07-8

Structural Information

Molecular Formula
C20H36N2O
SMILES
C1CCC(CC1)CC2CCC(CC2)NC(=O)NC3CCCCC3
InChI
InChI=1S/C20H36N2O/c23-20(21-18-9-5-2-6-10-18)22-19-13-11-17(12-14-19)15-16-7-3-1-4-8-16/h16-19H,1-15H2,(H2,21,22,23)
InChIKey
DAXYUNRTSAWCFC-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[4-(cyclohexylmethyl)cyclohexyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.28278 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.29006 180.8
[M+Na]+ 343.27200 176.0
[M-H]- 319.27550 186.2
[M+NH4]+ 338.31660 192.7
[M+K]+ 359.24594 172.4
[M+H-H2O]+ 303.28004 171.1
[M+HCOO]- 365.28098 192.8
[M+CH3COO]- 379.29663 211.2
[M+Na-2H]- 341.25745 178.1
[M]+ 320.28223 165.3
[M]- 320.28333 165.3
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.