CID 52924243

Pe(17:0/14:0)

Structural Information

Molecular Formula
C36H72NO8P
SMILES
CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C36H72NO8P/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37)45-36(39)29-27-25-23-21-18-14-12-10-8-6-4-2/h34H,3-33,37H2,1-2H3,(H,40,41)/t34-/m1/s1
InChIKey
LDXXKNJVIYWBQC-UUWRZZSWSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tetradecanoyloxypropyl] heptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

677.4996 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 678.50688 267.8
[M+Na]+ 700.48882 270.7
[M-H]- 676.49232 259.3
[M+NH4]+ 695.53342 272.0
[M+K]+ 716.46276 271.1
[M+H-H2O]+ 660.49686 258.1
[M+HCOO]- 722.49780 268.4
[M+CH3COO]- 736.51345 277.5
[M+Na-2H]- 698.47427 247.5
[M]+ 677.49905 264.1
[M]- 677.50015 264.1
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.