CID 131822603

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

Structural Information

Molecular Formula
C48H95O8P
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C48H95O8P/c1-44(2)38-34-30-26-22-18-14-10-7-5-6-8-12-16-20-24-28-32-36-40-47(49)54-42-46(43-55-57(51,52)53)56-48(50)41-37-33-29-25-21-17-13-9-11-15-19-23-27-31-35-39-45(3)4/h44-46H,5-43H2,1-4H3,(H2,51,52,53)/t46-/m1/s1
InChIKey
WDVUCTHBTXTOMT-YACUFSJGSA-N
Compound name
[(2R)-2-(19-methylicosanoyloxy)-3-phosphonooxypropyl] 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 302.3
[M+Na]+ 853.66567 302.3
[M-H]- 829.66917 290.1
[M+NH4]+ 848.71027 309.2
[M+K]+ 869.63961 310.1
[M+H-H2O]+ 813.67371 292.9
[M+HCOO]- 875.67465 294.5
[M+CH3COO]- 889.69030 303.1
[M+Na-2H]- 851.65112 278.5
[M]+ 830.67590 302.5
[M]- 830.67700 302.5
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.