CID 52924970

Pe(o-16:0/22:1(11z))

Structural Information

Molecular Formula
C43H86NO7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC
InChI
InChI=1S/C43H86NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-43(45)51-42(41-50-52(46,47)49-39-37-44)40-48-38-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h20-21,42H,3-19,22-41,44H2,1-2H3,(H,46,47)/b21-20-/t42-/m1/s1
InChIKey
LYNHEOGSPCQNPX-NYJULOOZSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecoxypropan-2-yl] (Z)-docos-11-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

759.6142 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 760.62148 287.9
[M+Na]+ 782.60342 289.5
[M-H]- 758.60692 274.5
[M+NH4]+ 777.64802 289.5
[M+K]+ 798.57736 292.4
[M+H-H2O]+ 742.61146 276.6
[M+HCOO]- 804.61240 288.2
[M+CH3COO]- 818.62805 294.0
[M+Na-2H]- 780.58887 264.5
[M]+ 759.61365 283.8
[M]- 759.61475 283.8
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.