CID 44152263

94166-50-4

Structural Information

Molecular Formula
C56H98N8O4
SMILES
CCCCCCCCCCCCCCCCCCNC(=O)NC1=CC(=C(C=C1)C)NC(=O)NCCNC(=O)NC2=C(C=CC(=C2)NC(=O)NCCCCCCCCCCCCCCCCCC)C
InChI
InChI=1S/C56H98N8O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-57-53(65)61-49-39-37-47(3)51(45-49)63-55(67)59-43-44-60-56(68)64-52-46-50(40-38-48(52)4)62-54(66)58-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37-40,45-46H,5-36,41-44H2,1-4H3,(H2,57,61,65)(H2,58,62,66)(H2,59,63,67)(H2,60,64,68)
InChIKey
UFWQSIAUKNYULV-UHFFFAOYSA-N
Compound name
1-[4-methyl-3-[2-[[2-methyl-5-(octadecylcarbamoylamino)phenyl]carbamoylamino]ethylcarbamoylamino]phenyl]-3-octadecylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

946.7711 Da
Monoisotopic Mass

18.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 947.77838 340.1
[M+Na]+ 969.76032 358.1
[M+NH4]+ 964.80492 342.5
[M+K]+ 985.73426 353.4
[M-H]- 945.76382 342.0
[M+Na-2H]- 967.74577 339.8
[M]+ 946.77055 344.1
[M]- 946.77165 344.1
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.