CID 131820881

Pe-nme(11d5/13d5)

Structural Information

Molecular Formula
C52H92NO10P
SMILES
CCCCCC1=C(C(=C(O1)CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC2=C(C(=C(O2)CCCCC)C)C)COP(=O)(O)OCCNC)C)C
InChI
InChI=1S/C52H92NO10P/c1-8-10-26-32-47-42(3)44(5)49(62-47)34-28-22-18-14-12-13-15-21-25-31-37-52(55)61-46(41-60-64(56,57)59-39-38-53-7)40-58-51(54)36-30-24-20-17-16-19-23-29-35-50-45(6)43(4)48(63-50)33-27-11-9-2/h46,53H,8-41H2,1-7H3,(H,56,57)/t46-/m1/s1
InChIKey
OWXIBCPZBPRYNQ-YACUFSJGSA-N
Compound name
[(2R)-1-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

921.6459 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 922.65318 311.5
[M+Na]+ 944.63512 312.6
[M+NH4]+ 939.67972 314.1
[M+K]+ 960.60906 314.2
[M-H]- 920.63862 300.7
[M+Na-2H]- 942.62057 308.1
[M]+ 921.64535 309.8
[M]- 921.64645 309.8
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.