CID 131770071

Pc(dime(11,5)/dime(11,3))

Structural Information

Molecular Formula
C50H89NO10P
SMILES
CCCCCC1=C(C(=C(O1)CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC2=C(C(=C(O2)CCC)C)C)C)C
InChI
InChI=1S/C50H88NO10P/c1-10-12-25-31-46-42(5)43(6)48(61-46)33-27-22-17-13-15-19-23-28-34-49(52)56-38-44(39-58-62(54,55)57-37-36-51(7,8)9)59-50(53)35-29-24-20-16-14-18-21-26-32-47-41(4)40(3)45(60-47)30-11-2/h44H,10-39H2,1-9H3/p+1
InChIKey
HHXQGLABIUPDDE-UHFFFAOYSA-O
Compound name
2-[[3-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]-2-[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

894.62244 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 895.62972 299.8
[M+Na]+ 917.61166 302.4
[M+NH4]+ 912.65626 276.9
[M+K]+ 933.58560 306.2
[M-H]- 893.61516 296.2
[M+Na-2H]- 915.59711 288.6
[M]+ 894.62189 300.5
[M]- 894.62299 300.5
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.