CID 52925144

Lysope(22:0/0:0)

Structural Information

Molecular Formula
C27H56NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C27H56NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27(30)33-24-26(29)25-35-36(31,32)34-23-22-28/h26,29H,2-25,28H2,1H3,(H,31,32)/t26-/m1/s1
InChIKey
NYSQCLMCGRAJJQ-AREMUKBSSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

537.37946 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.38674 234.9
[M+Na]+ 560.36868 237.7
[M-H]- 536.37218 226.4
[M+NH4]+ 555.41328 234.3
[M+K]+ 576.34262 234.5
[M+H-H2O]+ 520.37672 224.2
[M+HCOO]- 582.37766 239.0
[M+CH3COO]- 596.39331 249.2
[M+Na-2H]- 558.35413 217.0
[M]+ 537.37891 229.1
[M]- 537.38001 229.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.