CID 131770093

Pc(dime(9,3)/dime(9,5))

Structural Information

Molecular Formula
C46H81NO10P
SMILES
CCCCCC1=C(C(=C(O1)CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C(=C(O2)CCC)C)C)COP(=O)(O)OCC[N+](C)(C)C)C)C
InChI
InChI=1S/C46H80NO10P/c1-10-12-21-27-42-38(5)39(6)44(57-42)29-23-18-14-16-20-25-31-46(49)55-40(35-54-58(50,51)53-33-32-47(7,8)9)34-52-45(48)30-24-19-15-13-17-22-28-43-37(4)36(3)41(56-43)26-11-2/h40H,10-35H2,1-9H3/p+1
InChIKey
YEBOSEKAPJRINL-UHFFFAOYSA-O
Compound name
2-[[2-[9-(3,4-dimethyl-5-pentylfuran-2-yl)nonanoyloxy]-3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

838.5598 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 839.56708 288.2
[M+Na]+ 861.54902 291.5
[M+NH4]+ 856.59362 265.0
[M+K]+ 877.52296 295.7
[M-H]- 837.55252 284.9
[M+Na-2H]- 859.53447 278.2
[M]+ 838.55925 289.3
[M]- 838.56035 289.3
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.