CID 352756

58890-25-8

Structural Information

Molecular Formula
C27H36N4O2
SMILES
C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NC4CCCCC4
InChI
InChI=1S/C27H36N4O2/c32-26(28-22-7-3-1-4-8-22)30-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)31-27(33)29-23-9-5-2-6-10-23/h11-18,22-23H,1-10,19H2,(H2,28,30,32)(H2,29,31,33)
InChIKey
SGXPOLBQSKXTKY-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[4-[[4-(cyclohexylcarbamoylamino)phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

36
Patents

448.2838 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.29108 214.2
[M+Na]+ 471.27302 221.7
[M+NH4]+ 466.31762 220.4
[M+K]+ 487.24696 213.8
[M-H]- 447.27652 223.2
[M+Na-2H]- 469.25847 221.7
[M]+ 448.28325 217.2
[M]- 448.28435 217.2
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