CID 52927438

Pg(20:0/0:0)

Structural Information

Molecular Formula
C26H53O9P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)O
InChI
InChI=1S/C26H53O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(30)33-21-25(29)23-35-36(31,32)34-22-24(28)20-27/h24-25,27-29H,2-23H2,1H3,(H,31,32)/t24-,25+/m0/s1
InChIKey
YZDPOFSXUGXIOV-LOSJGSFVSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

540.3427 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 541.34998 233.3
[M+Na]+ 563.33192 232.8
[M-H]- 539.33542 225.3
[M+NH4]+ 558.37652 233.0
[M+K]+ 579.30586 230.9
[M+H-H2O]+ 523.33996 222.6
[M+HCOO]- 585.34090 234.6
[M+CH3COO]- 599.35655 241.7
[M+Na-2H]- 561.31737 214.6
[M]+ 540.34215 229.2
[M]- 540.34325 229.2
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

patents stripe