CID 131822323

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

Structural Information

Molecular Formula
C50H99O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C50H99O8P/c1-4-6-7-8-9-10-11-12-13-14-15-19-22-25-28-31-34-37-40-43-49(51)56-45-48(46-57-59(53,54)55)58-50(52)44-41-38-35-32-29-26-23-20-17-16-18-21-24-27-30-33-36-39-42-47(3)5-2/h47-48H,4-46H2,1-3H3,(H2,53,54,55)/t47?,48-/m1/s1
InChIKey
YDUFHBBQHMUFBR-YZMWRMHMSA-N
Compound name
[(2R)-1-docosanoyloxy-3-phosphonooxypropan-2-yl] 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 309.2
[M+Na]+ 881.69698 308.2
[M-H]- 857.70048 294.7
[M+NH4]+ 876.74158 314.5
[M+K]+ 897.67092 316.4
[M+H-H2O]+ 841.70502 299.0
[M+HCOO]- 903.70596 303.0
[M+CH3COO]- 917.72161 307.6
[M+Na-2H]- 879.68243 283.9
[M]+ 858.70721 309.3
[M]- 858.70831 309.3
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.