CID 127239851

M-peg12-dspe

Structural Information

Molecular Formula
C67H132NO21P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C67H132NO21P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-66(70)86-62-64(89-67(71)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)63-88-90(72,73)87-39-37-68-65(69)36-38-75-42-43-77-46-47-79-50-51-81-54-55-83-58-59-85-61-60-84-57-56-82-53-52-80-49-48-78-45-44-76-41-40-74-3/h64H,4-63H2,1-3H3,(H,68,69)(H,72,73)/t64-/m1/s1
InChIKey
YNJHPVHVZJVVSU-YBWOAVOSSA-N
Compound name
[(2R)-3-[hydroxy-[2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1317.903 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1318.9103 396.6
[M+Na]+ 1340.8922 391.8
[M+NH4]+ 1335.9368 407.2
[M+K]+ 1356.8662 402.0
[M-H]- 1316.8957 384.8
[M+Na-2H]- 1338.8777 387.5
[M]+ 1317.9025 396.1
[M]- 1317.9035 396.1
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.