CID 131770081

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

Structural Information

Molecular Formula
C54H97NO10P
SMILES
CCCCCC1=C(C(=C(O1)CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C(=C(O2)CCCCC)C)C)C)C
InChI
InChI=1S/C54H96NO10P/c1-10-12-28-34-49-44(3)46(5)51(64-49)36-30-24-20-16-14-15-17-22-26-32-38-53(56)60-42-48(43-62-66(58,59)61-41-40-55(7,8)9)63-54(57)39-33-27-23-19-18-21-25-31-37-52-47(6)45(4)50(65-52)35-29-13-11-2/h48H,10-43H2,1-9H3/p+1
InChIKey
WSTUVUFXDUWRHJ-UHFFFAOYSA-O
Compound name
2-[[3-[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyloxy]-2-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

950.685 Da
Monoisotopic Mass

15.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 951.69228 311.0
[M+Na]+ 973.67422 312.8
[M+NH4]+ 968.71882 288.5
[M+K]+ 989.64816 316.3
[M-H]- 949.67772 273.2
[M+Na-2H]- 971.65967 298.5
[M]+ 950.68445 311.2
[M]- 950.68555 311.2
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.