CID 131770140

Pc(monome(9,5)/monome(11,5))

Structural Information

Molecular Formula
C48H85NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C=C(O2)CCCCC)C)COP(=O)(O)OCC[N+](C)(C)C)C
InChI
InChI=1S/C48H84NO10P/c1-8-10-22-28-42-36-40(3)45(57-42)30-24-18-14-12-13-15-21-27-33-48(51)59-44(39-56-60(52,53)55-35-34-49(5,6)7)38-54-47(50)32-26-20-17-16-19-25-31-46-41(4)37-43(58-46)29-23-11-9-2/h36-37,44H,8-35,38-39H2,1-7H3/p+1
InChIKey
DAQHGLHVCQSLJZ-UHFFFAOYSA-O
Compound name
2-[hydroxy-[3-[9-(3-methyl-5-pentylfuran-2-yl)nonanoyloxy]-2-[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

866.5911 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 867.59838 295.5
[M+Na]+ 889.58032 298.3
[M+NH4]+ 884.62492 268.2
[M+K]+ 905.55426 302.2
[M-H]- 865.58382 253.9
[M+Na-2H]- 887.56577 284.6
[M]+ 866.59055 296.2
[M]- 866.59165 296.2
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.