CID 131770206

Pe(monome(13,5)/dime(11,3))

Structural Information

Molecular Formula
C48H84NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC2=C(C(=C(O2)CCC)C)C)C
InChI
InChI=1S/C48H84NO10P/c1-6-8-23-29-42-36-39(3)44(57-42)30-24-19-15-11-9-10-12-17-21-26-32-47(50)54-37-43(38-56-60(52,53)55-35-34-49)58-48(51)33-27-22-18-14-13-16-20-25-31-46-41(5)40(4)45(59-46)28-7-2/h36,43H,6-35,37-38,49H2,1-5H3,(H,52,53)/t43-/m1/s1
InChIKey
NOOMLCJVQOOHQF-VZUYHUTRSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyloxy]propyl] 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

865.5833 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 866.59058 293.3
[M+Na]+ 888.57252 295.4
[M+NH4]+ 883.61712 296.1
[M+K]+ 904.54646 296.5
[M-H]- 864.57602 283.9
[M+Na-2H]- 886.55797 291.6
[M]+ 865.58275 292.0
[M]- 865.58385 292.0
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.