CID 131822429

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

Structural Information

Molecular Formula
C50H99O8P
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C50H99O8P/c1-5-47(4)41-37-33-29-25-21-17-13-8-6-7-9-14-18-22-26-30-34-38-42-49(51)56-44-48(45-57-59(53,54)55)58-50(52)43-39-35-31-27-23-19-15-11-10-12-16-20-24-28-32-36-40-46(2)3/h46-48H,5-45H2,1-4H3,(H2,53,54,55)/t47?,48-/m1/s1
InChIKey
BYRMSATUVVTJBH-YZMWRMHMSA-N
Compound name
[(2R)-2-(20-methylhenicosanoyloxy)-3-phosphonooxypropyl] 22-methyltetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

858.70776 Da
Monoisotopic Mass

20.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 859.71504 312.5
[M+Na]+ 881.69698 311.7
[M+NH4]+ 876.74158 317.7
[M+K]+ 897.67092 314.7
[M-H]- 857.70048 298.7
[M+Na-2H]- 879.68243 308.0
[M]+ 858.70721 309.8
[M]- 858.70831 309.8
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.