CID 131770123

Pc(monome(11,5)/monome(13,5))

Structural Information

Molecular Formula
C52H93NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C=C(O2)CCCCC)C)COP(=O)(O)OCC[N+](C)(C)C)C
InChI
InChI=1S/C52H92NO10P/c1-8-10-26-32-46-40-44(3)49(61-46)34-28-22-18-14-12-13-15-21-25-31-37-52(55)63-48(43-60-64(56,57)59-39-38-53(5,6)7)42-58-51(54)36-30-24-20-17-16-19-23-29-35-50-45(4)41-47(62-50)33-27-11-9-2/h40-41,48H,8-39,42-43H2,1-7H3/p+1
InChIKey
FBCFMXYJNQSLGE-UHFFFAOYSA-O
Compound name
2-[hydroxy-[2-[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyloxy]-3-[11-(3-methyl-5-pentylfuran-2-yl)undecanoyloxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

922.6537 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 923.66098 306.9
[M+Na]+ 945.64292 308.9
[M+NH4]+ 940.68752 280.0
[M+K]+ 961.61686 312.5
[M-H]- 921.64642 264.5
[M+Na-2H]- 943.62837 294.7
[M]+ 922.65315 307.2
[M]- 922.65425 307.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.