CID 131822178

Pa(24:0/20:0)

Structural Information

Molecular Formula
C47H93O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C47H93O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-27-29-31-33-35-37-39-41-46(48)53-43-45(44-54-56(50,51)52)55-47(49)42-40-38-36-34-32-30-28-25-20-18-16-14-12-10-8-6-4-2/h45H,3-44H2,1-2H3,(H2,50,51,52)/t45-/m1/s1
InChIKey
NJFJRDXMLLXGFX-WBVITSLISA-N
Compound name
[(2R)-2-icosanoyloxy-3-phosphonooxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

816.6608 Da
Monoisotopic Mass

19.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 817.66808 302.0
[M+Na]+ 839.65002 301.5
[M+NH4]+ 834.69462 305.7
[M+K]+ 855.62396 303.9
[M-H]- 815.65352 286.7
[M+Na-2H]- 837.63547 297.8
[M]+ 816.66025 298.7
[M]- 816.66135 298.7
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.