CID 131770111

Pc(monome(11,3)/dime(9,5))

Structural Information

Molecular Formula
C47H83NO10P
SMILES
CCCCCC1=C(C(=C(O1)CCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C=C(O2)CCC)C)COP(=O)(O)OCC[N+](C)(C)C)C)C
InChI
InChI=1S/C47H82NO10P/c1-9-11-22-29-44-39(4)40(5)45(58-44)30-24-19-16-17-21-26-32-47(50)57-42(37-55-59(51,52)54-34-33-48(6,7)8)36-53-46(49)31-25-20-15-13-12-14-18-23-28-43-38(3)35-41(56-43)27-10-2/h35,42H,9-34,36-37H2,1-8H3/p+1
InChIKey
DGCOWKDGPFRJPN-UHFFFAOYSA-O
Compound name
2-[[2-[9-(3,4-dimethyl-5-pentylfuran-2-yl)nonanoyloxy]-3-[11-(3-methyl-5-propylfuran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

852.57544 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 853.58272 291.9
[M+Na]+ 875.56466 294.9
[M+NH4]+ 870.60926 266.6
[M+K]+ 891.53860 299.0
[M-H]- 851.56816 288.4
[M+Na-2H]- 873.55011 281.5
[M]+ 852.57489 292.8
[M]- 852.57599 292.8
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.