CID 56842857

35674-65-8

Structural Information

Molecular Formula
C41H84N4O2
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)NCCCNC(=O)NCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C41H84N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-42-40(46)44-38-35-39-45-41(47)43-37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3,(H2,42,44,46)(H2,43,45,47)
InChIKey
UZXKVMHAGOJYHP-UHFFFAOYSA-N
Compound name
1-octadecyl-3-[3-(octadecylcarbamoylamino)propyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

664.6594 Da
Monoisotopic Mass

16.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.66668 302.9
[M+Na]+ 687.64862 312.2
[M-H]- 663.65212 292.7
[M+NH4]+ 682.69322 299.1
[M+K]+ 703.62256 311.4
[M+H-H2O]+ 647.65666 297.9
[M+HCOO]- 709.65760 298.1
[M+CH3COO]- 723.67325 290.3
[M+Na-2H]- 685.63407 282.2
[M]+ 664.65885 292.7
[M]- 664.65995 292.7
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

patents stripe