CID 52924308

Pe(17:2(9z,12z)/19:0)

Structural Information

Molecular Formula
C41H78NO8P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C41H78NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h10,12,16,18,39H,3-9,11,13-15,17,19-38,42H2,1-2H3,(H,45,46)/b12-10-,18-16-/t39-/m1/s1
InChIKey
AFZXTEHTIGADNN-FXEHLHKKSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxypropan-2-yl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

743.5465 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 744.55378 279.8
[M+Na]+ 766.53572 283.0
[M-H]- 742.53922 271.0
[M+NH4]+ 761.58032 284.5
[M+K]+ 782.50966 284.5
[M+H-H2O]+ 726.54376 269.6
[M+HCOO]- 788.54470 280.2
[M+CH3COO]- 802.56035 288.5
[M+Na-2H]- 764.52117 258.5
[M]+ 743.54595 276.1
[M]- 743.54705 276.1
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.