CID 49786976

Pe(14:0/18:0)

Structural Information

Molecular Formula
C37H74NO8P
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38)33-43-36(39)29-27-25-23-21-19-14-12-10-8-6-4-2/h35H,3-34,38H2,1-2H3,(H,41,42)/t35-/m1/s1
InChIKey
AUSLLMXXJBCZGL-PGUFJCEWSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

14
Patents

691.5152 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 692.52248 271.0
[M+Na]+ 714.50442 273.9
[M+NH4]+ 709.54902 276.0
[M+K]+ 730.47836 273.9
[M-H]- 690.50792 261.3
[M+Na-2H]- 712.48987 270.9
[M]+ 691.51465 269.5
[M]- 691.51575 269.5
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

patents stripe