CID 165415739

Lpc(0:0/20:3)

Structural Information

Molecular Formula
C28H53NO7P
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C28H52NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)36-27(25-30)26-35-37(32,33)34-24-23-29(2,3)4/h9-10,12-13,15-16,27,30H,5-8,11,14,17-26H2,1-4H3/p+1/b10-9-,13-12-,16-15-/t27-/m1/s1
InChIKey
XLOWNJRWOXSTTN-FZZJNMCHSA-O
Compound name
2-[hydroxy-[(2R)-3-hydroxy-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.35596 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.36324 233.6
[M+Na]+ 569.34518 237.7
[M-H]- 545.34868 230.9
[M+NH4]+ 564.38978 238.0
[M+K]+ 585.31912 233.7
[M+H-H2O]+ 529.35322 218.4
[M+HCOO]- 591.35416 246.2
[M+CH3COO]- 605.36981 242.8
[M+Na-2H]- 567.33063 217.9
[M]+ 546.35541 229.5
[M]- 546.35651 229.5
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.