CID 131822412

Pa(a-25:0/22:0)

Structural Information

Molecular Formula
C50H99O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COP(=O)(O)O
InChI
InChI=1S/C50H99O8P/c1-4-6-7-8-9-10-11-12-13-14-15-20-23-26-29-32-35-38-41-44-50(52)58-48(46-57-59(53,54)55)45-56-49(51)43-40-37-34-31-28-25-22-19-17-16-18-21-24-27-30-33-36-39-42-47(3)5-2/h47-48H,4-46H2,1-3H3,(H2,53,54,55)/t47?,48-/m1/s1
InChIKey
UXBDEJFJCAQWQE-YZMWRMHMSA-N
Compound name
[(2R)-2-docosanoyloxy-3-phosphonooxypropyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

858.70776 Da
Monoisotopic Mass

20.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 859.71504 312.0
[M+Na]+ 881.69698 311.2
[M+NH4]+ 876.74158 316.3
[M+K]+ 897.67092 314.2
[M-H]- 857.70048 296.9
[M+Na-2H]- 879.68243 307.2
[M]+ 858.70721 308.9
[M]- 858.70831 308.9
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.