CID 44149663

Urea, n,n''-(methylenedi-4,1-phenylene)bis(n'-docosyl-

Structural Information

Molecular Formula
C59H104N4O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCNC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C59H104N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-51-60-58(64)62-56-47-43-54(44-48-56)53-55-45-49-57(50-46-55)63-59(65)61-52-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-50H,3-42,51-53H2,1-2H3,(H2,60,62,64)(H2,61,63,65)
InChIKey
AQGZSOYLDAKYMZ-UHFFFAOYSA-N
Compound name
1-docosyl-3-[4-[[4-(docosylcarbamoylamino)phenyl]methyl]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

900.8159 Da
Monoisotopic Mass

23.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 901.82318 323.6
[M+Na]+ 923.80512 335.1
[M-H]- 899.80862 310.8
[M+NH4]+ 918.84972 321.2
[M+K]+ 939.77906 334.3
[M+H-H2O]+ 883.81316 320.8
[M+HCOO]- 945.81410 324.6
[M+CH3COO]- 959.82975 332.2
[M+Na-2H]- 921.79057 301.4
[M]+ 900.81535 314.6
[M]- 900.81645 314.6
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.