CID 52929625

Pa(o-20:0/20:2(11z,14z))

Structural Information

Molecular Formula
C43H83O7P
SMILES
CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C43H83O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-48-40-42(41-49-51(45,46)47)50-43(44)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,42H,3-11,13,15-17,19,21-41H2,1-2H3,(H2,45,46,47)/b14-12-,20-18-/t42-/m1/s1
InChIKey
IMFDZAJPMWAIED-BYAYFGLHSA-N
Compound name
[(2R)-1-icosoxy-3-phosphonooxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

742.58765 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 743.59493 282.2
[M+Na]+ 765.57687 282.6
[M-H]- 741.58037 267.5
[M+NH4]+ 760.62147 283.9
[M+K]+ 781.55081 286.4
[M+H-H2O]+ 725.58491 271.4
[M+HCOO]- 787.58585 284.5
[M+CH3COO]- 801.60150 285.9
[M+Na-2H]- 763.56232 259.3
[M]+ 742.58710 280.0
[M]- 742.58820 280.0
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.