CID 52929068

Pa(19:0/22:2(13z,16z))

Structural Information

Molecular Formula
C44H83O8P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C44H83O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(46)52-42(41-51-53(47,48)49)40-50-43(45)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,42H,3-10,12,14-16,18,20-41H2,1-2H3,(H2,47,48,49)/b13-11-,19-17-/t42-/m1/s1
InChIKey
POYAYNYTODJITB-GZHHDXNOSA-N
Compound name
[(2R)-1-nonadecanoyloxy-3-phosphonooxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

770.5826 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 771.58988 286.7
[M+Na]+ 793.57182 287.4
[M-H]- 769.57532 274.6
[M+NH4]+ 788.61642 291.0
[M+K]+ 809.54576 291.6
[M+H-H2O]+ 753.57986 276.5
[M+HCOO]- 815.58080 286.9
[M+CH3COO]- 829.59645 289.5
[M+Na-2H]- 791.55727 264.0
[M]+ 770.58205 285.2
[M]- 770.58315 285.2
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.