CID 102262249

Pg-pe

Structural Information

Molecular Formula
C26H50NO10P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCC(=O)O
InChI
InChI=1S/C26H50NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25(30)34-21-23(22-36-38(32,33)35-20-19-27)37-26(31)18-15-16-24(28)29/h23H,2-22,27H2,1H3,(H,28,29)(H,32,33)/t23-/m1/s1
InChIKey
FKRARUNJJAIMOK-HSZRJFAPSA-N
Compound name
5-[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.31726 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.32454 236.3
[M+Na]+ 590.30648 239.8
[M-H]- 566.30998 234.5
[M+NH4]+ 585.35108 241.7
[M+K]+ 606.28042 236.1
[M+H-H2O]+ 550.31452 227.3
[M+HCOO]- 612.31546 237.4
[M+CH3COO]- 626.33111 251.7
[M+Na-2H]- 588.29193 219.8
[M]+ 567.31671 232.1
[M]- 567.31781 232.1
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.