CID 52924044

Pc(17:2(9z,12z)/0:0)

Structural Information

Molecular Formula
C25H49NO7P
SMILES
CCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C25H48NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26(2,3)4/h8-9,11-12,24,27H,5-7,10,13-23H2,1-4H3/p+1/b9-8-,12-11-/t24-/m1/s1
InChIKey
GYPQKMKDLBCBMB-XTVBGRGASA-O
Compound name
2-[[(2R)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

506.32468 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.33196 225.2
[M+Na]+ 529.31390 229.3
[M-H]- 505.31740 222.8
[M+NH4]+ 524.35850 229.3
[M+K]+ 545.28784 224.4
[M+H-H2O]+ 489.32194 210.3
[M+HCOO]- 551.32288 238.1
[M+CH3COO]- 565.33853 235.8
[M+Na-2H]- 527.29935 210.3
[M]+ 506.32413 221.4
[M]- 506.32523 221.4
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.