CID 135563764

Chebi:142751

Structural Information

Molecular Formula
C26H52NO9P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCO
InChI
InChI=1S/C26H52NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-25(29)33-22-24(36-26(30)18-15-16-20-28)23-35-37(31,32)34-21-19-27/h24,28H,2-23,27H2,1H3,(H,31,32)/t24-/m1/s1
InChIKey
DXBJYKYBXAGDOJ-XMMPIXPASA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-(5-hydroxypentanoyloxy)propyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

553.33795 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 554.34523 235.5
[M+Na]+ 576.32717 238.5
[M-H]- 552.33067 230.9
[M+NH4]+ 571.37177 238.2
[M+K]+ 592.30111 234.7
[M+H-H2O]+ 536.33521 225.7
[M+HCOO]- 598.33615 238.3
[M+CH3COO]- 612.35180 249.6
[M+Na-2H]- 574.31262 218.2
[M]+ 553.33740 230.5
[M]- 553.33850 230.5
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.