CID 2960044

1-cyclohexyl-3-(2-(3-cyclohexyl-ureido)-cyclohexyl)-urea

Structural Information

Molecular Formula
C20H36N4O2
SMILES
C1CCC(CC1)NC(=O)NC2CCCCC2NC(=O)NC3CCCCC3
InChI
InChI=1S/C20H36N4O2/c25-19(21-15-9-3-1-4-10-15)23-17-13-7-8-14-18(17)24-20(26)22-16-11-5-2-6-12-16/h15-18H,1-14H2,(H2,21,23,25)(H2,22,24,26)
InChIKey
SHTYCRUAKRBNEY-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)cyclohexyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.2838 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.29108 185.1
[M+Na]+ 387.27302 178.9
[M-H]- 363.27652 190.3
[M+NH4]+ 382.31762 194.4
[M+K]+ 403.24696 176.3
[M+H-H2O]+ 347.28106 175.1
[M+HCOO]- 409.28200 198.7
[M+CH3COO]- 423.29765 223.0
[M+Na-2H]- 385.25847 183.1
[M]+ 364.28325 168.6
[M]- 364.28435 168.6
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.