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

5
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

patents stripe