CID 131770127

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

Structural Information

Molecular Formula
C55H99NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC2=C(C(=C(O2)CCCCC)C)C)C
InChI
InChI=1S/C55H98NO10P/c1-9-11-29-35-49-43-46(3)51(64-49)36-31-25-21-17-13-15-19-23-27-33-39-54(57)61-44-50(45-63-67(59,60)62-42-41-56(6,7)8)65-55(58)40-34-28-24-20-16-14-18-22-26-32-38-53-48(5)47(4)52(66-53)37-30-12-10-2/h43,50H,9-42,44-45H2,1-8H3/p+1
InChIKey
JPXWGKKIQVJFMS-UHFFFAOYSA-O
Compound name
2-[[2-[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyloxy]-3-[13-(3-methyl-5-pentylfuran-2-yl)tridecanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

964.7007 Da
Monoisotopic Mass

16.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 965.70798 314.4
[M+Na]+ 987.68992 316.0
[M+NH4]+ 982.73452 290.0
[M+K]+ 1003.6639 319.3
[M-H]- 963.69342 274.1
[M+Na-2H]- 985.67537 301.5
[M]+ 964.70015 314.5
[M]- 964.70125 314.5
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.