CID 44151103

Urea, n-(4-((4-(((cyclohexylamino)carbonyl)amino)phenyl)methyl)phenyl)-n'-docosyl-

Structural Information

Molecular Formula
C43H70N4O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCNC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NC3CCCCC3
InChI
InChI=1S/C43H70N4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-35-44-42(48)45-40-31-27-37(28-32-40)36-38-29-33-41(34-30-38)47-43(49)46-39-25-22-21-23-26-39/h27-34,39H,2-26,35-36H2,1H3,(H2,44,45,48)(H2,46,47,49)
InChIKey
SWNOZZNHVCDISV-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[4-[[4-(docosylcarbamoylamino)phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

674.54987 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.55715 273.1
[M+Na]+ 697.53909 263.1
[M-H]- 673.54259 276.1
[M+NH4]+ 692.58369 270.0
[M+K]+ 713.51303 255.2
[M+H-H2O]+ 657.54713 258.5
[M+HCOO]- 719.54807 287.1
[M+CH3COO]- 733.56372 287.6
[M+Na-2H]- 695.52454 265.0
[M]+ 674.54932 272.7
[M]- 674.55042 272.7
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.