CID 131820894

Pe-nme(11m3/9m5)

Structural Information

Molecular Formula
C44H76NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C=C(O2)CCC)C)COP(=O)(O)OCCNC)C
InChI
InChI=1S/C44H76NO10P/c1-6-8-19-25-39-33-37(4)42(54-39)27-21-16-13-14-18-23-29-44(47)55-40(35-52-56(48,49)51-31-30-45-5)34-50-43(46)28-22-17-12-10-9-11-15-20-26-41-36(3)32-38(53-41)24-7-2/h32-33,40,45H,6-31,34-35H2,1-5H3,(H,48,49)/t40-/m1/s1
InChIKey
ZINHAYUYHXDGJV-RRHRGVEJSA-N
Compound name
[(2R)-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-[9-(3-methyl-5-pentylfuran-2-yl)nonanoyloxy]propyl] 11-(3-methyl-5-propylfuran-2-yl)undecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

809.5207 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 810.52798 284.1
[M+Na]+ 832.50992 286.7
[M+NH4]+ 827.55452 287.5
[M+K]+ 848.48386 287.0
[M-H]- 808.51342 275.7
[M+Na-2H]- 830.49537 283.5
[M]+ 809.52015 283.2
[M]- 809.52125 283.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.