CID 131822545

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

Structural Information

Molecular Formula
C48H95O8P
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)O
InChI
InChI=1S/C48H95O8P/c1-44(2)38-34-30-26-22-18-14-10-7-5-6-8-12-17-21-25-29-33-37-41-48(50)56-46(43-55-57(51,52)53)42-54-47(49)40-36-32-28-24-20-16-13-9-11-15-19-23-27-31-35-39-45(3)4/h44-46H,5-43H2,1-4H3,(H2,51,52,53)/t46-/m1/s1
InChIKey
GBIBGXMQTWVGNA-YACUFSJGSA-N
Compound name
[(2R)-1-(19-methylicosanoyloxy)-3-phosphonooxypropan-2-yl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

830.67645 Da
Monoisotopic Mass

19.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 831.68373 306.2
[M+Na]+ 853.66567 305.6
[M+NH4]+ 848.71027 311.5
[M+K]+ 869.63961 308.2
[M-H]- 829.66917 293.0
[M+Na-2H]- 851.65112 302.4
[M]+ 830.67590 303.6
[M]- 830.67700 303.6
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.