CID 131822586

Pa(i-24:0/21:0)

Structural Information

Molecular Formula
C48H95O8P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)O
InChI
InChI=1S/C48H95O8P/c1-4-5-6-7-8-9-10-11-12-13-17-21-24-27-30-33-36-39-42-48(50)56-46(44-55-57(51,52)53)43-54-47(49)41-38-35-32-29-26-23-20-18-15-14-16-19-22-25-28-31-34-37-40-45(2)3/h45-46H,4-44H2,1-3H3,(H2,51,52,53)/t46-/m1/s1
InChIKey
YIVSHEUJFGNJBT-YACUFSJGSA-N
Compound name
[(2R)-2-henicosanoyloxy-3-phosphonooxypropyl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

830.67645 Da
Monoisotopic Mass

19.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 831.68373 305.7
[M+Na]+ 853.66567 305.1
[M+NH4]+ 848.71027 310.1
[M+K]+ 869.63961 307.7
[M-H]- 829.66917 291.3
[M+Na-2H]- 851.65112 301.5
[M]+ 830.67590 302.7
[M]- 830.67700 302.7
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.