CID 52928747

Pa(15:0/22:0)

Structural Information

Molecular Formula
C40H79O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)O
InChI
InChI=1S/C40H79O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-40(42)48-38(37-47-49(43,44)45)36-46-39(41)34-32-30-28-26-24-16-14-12-10-8-6-4-2/h38H,3-37H2,1-2H3,(H2,43,44,45)/t38-/m1/s1
InChIKey
FVIDVZHXGSCQSO-KXQOOQHDSA-N
Compound name
[(2R)-1-pentadecanoyloxy-3-phosphonooxypropan-2-yl] docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

718.5513 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 719.55858 279.5
[M+Na]+ 741.54052 279.6
[M+NH4]+ 736.58512 283.3
[M+K]+ 757.51446 280.6
[M-H]- 717.54402 266.4
[M+Na-2H]- 739.52597 277.5
[M]+ 718.55075 276.6
[M]- 718.55185 276.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.