CID 4147513

3,3'-(4-methyl-1,3-phenylene)bis(1-cyclohexyl-1-methylurea)

Structural Information

Molecular Formula
C23H36N4O2
SMILES
CC1=C(C=C(C=C1)NC(=O)N(C)C2CCCCC2)NC(=O)N(C)C3CCCCC3
InChI
InChI=1S/C23H36N4O2/c1-17-14-15-18(24-22(28)26(2)19-10-6-4-7-11-19)16-21(17)25-23(29)27(3)20-12-8-5-9-13-20/h14-16,19-20H,4-13H2,1-3H3,(H,24,28)(H,25,29)
InChIKey
WOQIVVAVKQBONX-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[3-[[cyclohexyl(methyl)carbamoyl]amino]-4-methylphenyl]-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2838 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.29108 198.5
[M+Na]+ 423.27302 195.0
[M-H]- 399.27652 207.7
[M+NH4]+ 418.31762 208.1
[M+K]+ 439.24696 194.1
[M+H-H2O]+ 383.28106 187.7
[M+HCOO]- 445.28200 216.3
[M+CH3COO]- 459.29765 238.1
[M+Na-2H]- 421.25847 195.4
[M]+ 400.28325 190.0
[M]- 400.28435 190.0
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.