CID 9546870

Pe(19:0/16:0)

Structural Information

Molecular Formula
C40H80NO8P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-21-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41)49-40(43)33-31-29-27-25-23-20-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1
InChIKey
AKYJCWBDJJZURU-KXQOOQHDSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hexadecanoyloxypropyl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

733.56213 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 734.56941 281.0
[M+Na]+ 756.55135 283.1
[M-H]- 732.55485 270.9
[M+NH4]+ 751.59595 285.0
[M+K]+ 772.52529 285.2
[M+H-H2O]+ 716.55939 270.8
[M+HCOO]- 778.56033 280.0
[M+CH3COO]- 792.57598 288.2
[M+Na-2H]- 754.53680 259.0
[M]+ 733.56158 277.5
[M]- 733.56268 277.5
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

No patent data available for this compound.