CID 44152869

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

Structural Information

Molecular Formula
C39H54N4O2
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NC4CCCCC4
InChI
InChI=1S/C39H54N4O2/c1-2-3-4-5-6-7-8-9-10-12-15-31-18-24-35(25-19-31)41-39(45)43-37-28-22-33(23-29-37)30-32-20-26-36(27-21-32)42-38(44)40-34-16-13-11-14-17-34/h18-29,34H,2-17,30H2,1H3,(H2,40,42,44)(H2,41,43,45)
InChIKey
TVJWIJNREICAGL-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-[4-[[4-[(4-dodecylphenyl)carbamoylamino]phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

610.4247 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.43198 252.6
[M+Na]+ 633.41392 246.4
[M-H]- 609.41742 260.3
[M+NH4]+ 628.45852 251.8
[M+K]+ 649.38786 239.1
[M+H-H2O]+ 593.42196 238.1
[M+HCOO]- 655.42290 269.0
[M+CH3COO]- 669.43855 273.7
[M+Na-2H]- 631.39937 248.1
[M]+ 610.42415 248.5
[M]- 610.42525 248.5
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.