CID 171120939

Pc(0:0/20:4;o)

Structural Information

Molecular Formula
C28H51NO8P
SMILES
CCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C28H50NO8P/c1-5-6-7-8-13-16-19-26(31)20-17-14-11-9-10-12-15-18-21-28(32)37-27(24-30)25-36-38(33,34)35-23-22-29(2,3)4/h10-14,16-17,20,26-27,30-31H,5-9,15,18-19,21-25H2,1-4H3/p+1/b12-10-,14-11-,16-13-,20-17+/t26-,27+/m0/s1
InChIKey
GLFHTTFIWUDUDD-LLQMCKOFSA-O
Compound name
2-[hydroxy-[(2R)-3-hydroxy-2-[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

560.3352 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 561.34248 231.0
[M+Na]+ 583.32442 234.6
[M-H]- 559.32792 230.8
[M+NH4]+ 578.36902 235.7
[M+K]+ 599.29836 230.7
[M+H-H2O]+ 543.33246 215.4
[M+HCOO]- 605.33340 240.2
[M+CH3COO]- 619.34905 241.4
[M+Na-2H]- 581.30987 215.5
[M]+ 560.33465 226.0
[M]- 560.33575 226.0
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.