CID 131770118

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

Structural Information

Molecular Formula
C53H95NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C(=C(O2)CCCCC)C)C)C
InChI
InChI=1S/C53H94NO10P/c1-9-11-27-33-47-41-44(3)49(62-47)34-29-23-19-17-18-21-25-31-37-52(55)59-42-48(43-61-65(57,58)60-40-39-54(6,7)8)63-53(56)38-32-26-22-16-14-13-15-20-24-30-36-51-46(5)45(4)50(64-51)35-28-12-10-2/h41,48H,9-40,42-43H2,1-8H3/p+1
InChIKey
WWPSPPBYUQLBLK-UHFFFAOYSA-O
Compound name
2-[[2-[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyloxy]-3-[11-(3-methyl-5-pentylfuran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

936.6694 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 937.67668 309.0
[M+Na]+ 959.65862 310.9
[M+NH4]+ 954.70322 284.3
[M+K]+ 975.63256 314.4
[M-H]- 935.66212 268.9
[M+Na-2H]- 957.64407 296.7
[M]+ 936.66885 309.3
[M]- 936.66995 309.3
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.