CID 52929732

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

Structural Information

Molecular Formula
C43H81O7P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C43H81O7P/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/h12,14,18,20,37,39,42H,3-11,13,15-17,19,21-36,38,40-41H2,1-2H3,(H2,45,46,47)/b14-12-,20-18-,39-37-/t42-/m1/s1
InChIKey
PLXNNBDTZSZJJC-LSANEQIKSA-N
Compound name
[(2R)-1-[(Z)-icos-1-enoxy]-3-phosphonooxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

740.572 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 741.57928 280.1
[M+Na]+ 763.56122 281.0
[M-H]- 739.56472 266.1
[M+NH4]+ 758.60582 282.0
[M+K]+ 779.53516 284.4
[M+H-H2O]+ 723.56926 269.3
[M+HCOO]- 785.57020 283.2
[M+CH3COO]- 799.58585 284.7
[M+Na-2H]- 761.54667 257.6
[M]+ 740.57145 277.6
[M]- 740.57255 277.6
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.