CID 53479741

Pe(20:2(11z,14z)/p-18:1(9z))

Structural Information

Molecular Formula
C43H80NO7P
SMILES
CCCCCCCC/C=C\CCCCCC/C=C\O[C@H](COC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C43H80NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17-20,35,38,42H,3-10,12,14-16,21-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b13-11-,19-17-,20-18-,38-35-/t42-/m1/s1
InChIKey
IBIDTCQKTHZZPM-ZTCNOODVSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,9Z)-octadeca-1,9-dienoxy]propyl] (11Z,14Z)-icosa-11,14-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

753.56726 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 754.57454 281.4
[M+Na]+ 776.55648 285.6
[M+NH4]+ 771.60108 284.8
[M+K]+ 792.53042 286.0
[M-H]- 752.55998 270.4
[M+Na-2H]- 774.54193 280.5
[M]+ 753.56671 279.9
[M]- 753.56781 279.9
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.