CID 9547041

Pe-nme(11:0/11:0)

Structural Information

Molecular Formula
C28H56NO8P
SMILES
CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCC
InChI
InChI=1S/C28H56NO8P/c1-4-6-8-10-12-14-16-18-20-27(30)34-24-26(25-36-38(32,33)35-23-22-29-3)37-28(31)21-19-17-15-13-11-9-7-5-2/h26,29H,4-25H2,1-3H3,(H,32,33)/t26-/m1/s1
InChIKey
NDUYEVMUOMXUTP-AREMUKBSSA-N
Compound name
[(2R)-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-undecanoyloxypropyl] undecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

565.3743 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 566.38158 245.5
[M+Na]+ 588.36352 249.9
[M-H]- 564.36702 240.5
[M+NH4]+ 583.40812 250.9
[M+K]+ 604.33746 247.3
[M+H-H2O]+ 548.37156 237.1
[M+HCOO]- 610.37250 250.0
[M+CH3COO]- 624.38815 256.0
[M+Na-2H]- 586.34897 228.5
[M]+ 565.37375 242.5
[M]- 565.37485 242.5
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.