CID 146036826

17:0-16:1 pc-d5

Structural Information

Molecular Formula
C41H81NO8P
SMILES
[2H][C@@](C([2H])([2H])OC(=O)CCCCCCCCCCCCCCCC)(C([2H])([2H])OP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C41H80NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h17,19,39H,6-16,18,20-38H2,1-5H3/p+1/b19-17-/t39-/m1/s1/i37D2,38D2,39D
InChIKey
DISVYZNGGMDUPX-FEZSZEOVSA-O
Compound name
2-[hydroxy-[(2R)-1,1,2,3,3-pentadeuterio-3-heptadecanoyloxy-2-[(Z)-hexadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

751.6014 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 752.60868 289.8
[M+Na]+ 774.59062 291.9
[M+NH4]+ 769.63522 295.9
[M+K]+ 790.56456 297.1
[M-H]- 750.59412 285.4
[M+Na-2H]- 772.57607 278.7
[M]+ 751.60085 290.4
[M]- 751.60195 290.4
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.