CID 52924924

Pe(16:0/17:0)

Structural Information

Molecular Formula
C38H76NO8P
SMILES
CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C38H76NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-38(41)47-36(35-46-48(42,43)45-33-32-39)34-44-37(40)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36H,3-35,39H2,1-2H3,(H,42,43)/t36-/m1/s1
InChIKey
RIROVXBSDNZDBU-PSXMRANNSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] heptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

705.5309 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 706.53818 274.5
[M+Na]+ 728.52012 276.9
[M-H]- 704.52362 265.1
[M+NH4]+ 723.56472 278.5
[M+K]+ 744.49406 278.2
[M+H-H2O]+ 688.52816 264.5
[M+HCOO]- 750.52910 274.2
[M+CH3COO]- 764.54475 282.9
[M+Na-2H]- 726.50557 253.3
[M]+ 705.53035 270.9
[M]- 705.53145 270.9
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.