CID 52924054

Lpc(20:2)

Structural Information

Molecular Formula
C28H55NO7P
SMILES
CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C28H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h9-10,12-13,27,30H,5-8,11,14-26H2,1-4H3/p+1/b10-9-,13-12-/t27-/m1/s1
InChIKey
YYQVCMMXPIJVHY-ZOIJLGJPSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-[(11Z,14Z)-icosa-11,14-dienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

78
Patents

548.37164 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 549.37892 235.9
[M+Na]+ 571.36086 239.4
[M-H]- 547.36436 232.4
[M+NH4]+ 566.40546 239.9
[M+K]+ 587.33480 235.8
[M+H-H2O]+ 531.36890 220.6
[M+HCOO]- 593.36984 247.6
[M+CH3COO]- 607.38549 244.5
[M+Na-2H]- 569.34631 219.7
[M]+ 548.37109 231.9
[M]- 548.37219 231.9
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.