CID 53480939

Lysope(0:0/22:0)

Structural Information

Molecular Formula
C27H56NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO)COP(=O)(O)OCCN
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)35-26(24-29)25-34-36(31,32)33-23-22-28/h26,29H,2-25,28H2,1H3,(H,31,32)/t26-/m1/s1
InChIKey
NVLXNEISHNIEBO-AREMUKBSSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hydroxypropan-2-yl] docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
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 238.9
[M+NH4]+ 555.41328 238.2
[M+K]+ 576.34262 236.5
[M-H]- 536.37218 226.4
[M+Na-2H]- 558.35413 237.4
[M]+ 537.37891 233.2
[M]- 537.38001 233.2
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