CID 131770168

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

Structural Information

Molecular Formula
C52H92NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC2=C(C(=C(O2)CCCCC)C)C)COP(=O)(O)OCCN)C
InChI
InChI=1S/C52H92NO10P/c1-6-8-26-32-46-40-43(3)48(61-46)33-28-22-18-14-10-13-17-21-25-31-37-52(55)62-47(42-60-64(56,57)59-39-38-53)41-58-51(54)36-30-24-20-16-12-11-15-19-23-29-35-50-45(5)44(4)49(63-50)34-27-9-7-2/h40,47H,6-39,41-42,53H2,1-5H3,(H,56,57)/t47-/m1/s1
InChIKey
SFDVEJFAUFZEKM-QZNUWAOFSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[13-(3,4-dimethyl-5-pentylfuran-2-yl)tridecanoyloxy]propan-2-yl] 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

921.6459 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 922.65318 301.4
[M+Na]+ 944.63512 311.6
[M-H]- 920.63862 296.0
[M+NH4]+ 939.67972 311.8
[M+K]+ 960.60906 311.1
[M+H-H2O]+ 904.64316 298.3
[M+HCOO]- 966.64410 312.7
[M+CH3COO]- 980.65975 321.6
[M+Na-2H]- 942.62057 279.0
[M]+ 921.64535 303.9
[M]- 921.64645 303.9
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.