CID 131821781

Pe-nme2(11d5/13m5)

Structural Information

Molecular Formula
C52H92NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C(=C(O2)CCCCC)C)C)COP(=O)(O)OCCN(C)C)C
InChI
InChI=1S/C52H92NO10P/c1-8-10-26-32-46-40-43(3)48(61-46)33-28-22-18-14-12-13-15-21-25-31-37-52(55)62-47(42-60-64(56,57)59-39-38-53(6)7)41-58-51(54)36-30-24-20-17-16-19-23-29-35-50-45(5)44(4)49(63-50)34-27-11-9-2/h40,47H,8-39,41-42H2,1-7H3,(H,56,57)/t47-/m1/s1
InChIKey
VXJXTXLHWMOJQE-QZNUWAOFSA-N
Compound name
[(2R)-1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]propan-2-yl] 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

921.6459 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 922.65318 312.9
[M+Na]+ 944.63512 314.2
[M+NH4]+ 939.67972 317.3
[M+K]+ 960.60906 316.1
[M-H]- 920.63862 302.9
[M+Na-2H]- 942.62057 309.9
[M]+ 921.64535 311.8
[M]- 921.64645 311.8
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.