CID 53479728

Pe(20:1(11z)/p-18:1(11z))

Structural Information

Molecular Formula
C43H82NO7P
SMILES
CCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C43H82NO7P/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/h14,16-17,19,35,38,42H,3-13,15,18,20-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14-,19-17-,38-35-/t42-/m1/s1
InChIKey
OHBRNOPVIZLBBE-CGPNWZOFSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] (Z)-icos-11-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

755.5829 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 756.59018 283.4
[M+Na]+ 778.57212 287.2
[M+NH4]+ 773.61672 286.8
[M+K]+ 794.54606 287.6
[M-H]- 754.57562 271.6
[M+Na-2H]- 776.55757 282.0
[M]+ 755.58235 281.6
[M]- 755.58345 281.6
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.