CID 131822544

Pa(i-21:0/i-22:0)

Structural Information

Molecular Formula
C46H91O8P
SMILES
CC(C)CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCC(C)C)COP(=O)(O)O
InChI
InChI=1S/C46H91O8P/c1-42(2)36-32-28-24-20-16-12-8-5-6-10-15-19-23-27-31-35-39-46(48)54-44(41-53-55(49,50)51)40-52-45(47)38-34-30-26-22-18-14-11-7-9-13-17-21-25-29-33-37-43(3)4/h42-44H,5-41H2,1-4H3,(H2,49,50,51)/t44-/m1/s1
InChIKey
VBYAKTCVTWLWST-USYZEHPZSA-N
Compound name
[(2R)-1-(19-methylicosanoyloxy)-3-phosphonooxypropan-2-yl] 20-methylhenicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

802.64514 Da
Monoisotopic Mass

18.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 803.65242 299.8
[M+Na]+ 825.63436 299.4
[M+NH4]+ 820.67896 305.1
[M+K]+ 841.60830 301.6
[M-H]- 801.63786 287.3
[M+Na-2H]- 823.61981 296.6
[M]+ 802.64459 297.4
[M]- 802.64569 297.4
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.