CID 131770157

Pe(dime(11,5)/monome(11,3))

Structural Information

Molecular Formula
C46H80NO10P
SMILES
CCCCCC1=C(C(=C(O1)CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC2=C(C=C(O2)CCC)C)C)C
InChI
InChI=1S/C46H80NO10P/c1-6-8-21-28-43-38(4)39(5)44(57-43)29-23-18-14-10-11-15-19-24-30-45(48)52-35-41(36-54-58(50,51)53-33-32-47)56-46(49)31-25-20-16-12-9-13-17-22-27-42-37(3)34-40(55-42)26-7-2/h34,41H,6-33,35-36,47H2,1-5H3,(H,50,51)/t41-/m1/s1
InChIKey
RUXQHMBOPKQIJE-VQJSHJPSSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]propan-2-yl] 11-(3-methyl-5-propylfuran-2-yl)undecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

837.552 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 838.55928 287.2
[M+Na]+ 860.54122 289.5
[M+NH4]+ 855.58582 290.1
[M+K]+ 876.51516 290.2
[M-H]- 836.54472 278.5
[M+Na-2H]- 858.52667 286.2
[M]+ 837.55145 286.1
[M]- 837.55255 286.1
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.