CID 131822585

Pa(i-24:0/20:0)

Structural Information

Molecular Formula
C47H93O8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)O
InChI
InChI=1S/C47H93O8P/c1-4-5-6-7-8-9-10-11-12-15-20-23-26-29-32-35-38-41-47(49)55-45(43-54-56(50,51)52)42-53-46(48)40-37-34-31-28-25-22-19-17-14-13-16-18-21-24-27-30-33-36-39-44(2)3/h44-45H,4-43H2,1-3H3,(H2,50,51,52)/t45-/m1/s1
InChIKey
PUEXKSPUXJZGSC-WBVITSLISA-N
Compound name
[(2R)-2-icosanoyloxy-3-phosphonooxypropyl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

816.6608 Da
Monoisotopic Mass

19.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 817.66808 302.5
[M+Na]+ 839.65002 302.0
[M+NH4]+ 834.69462 307.0
[M+K]+ 855.62396 304.4
[M-H]- 815.65352 288.4
[M+Na-2H]- 837.63547 298.7
[M]+ 816.66025 299.6
[M]- 816.66135 299.6
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.