CID 146171604

19:0 lyso pe-d5

Structural Information

Molecular Formula
C24H50NO7P
SMILES
[2H][C@@](C([2H])([2H])OC(=O)CCCCCCCCCCCCCCCCCC)(C([2H])([2H])OP(=O)(O)OCCN)O
InChI
InChI=1S/C24H50NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25/h23,26H,2-22,25H2,1H3,(H,28,29)/t23-/m1/s1/i21D2,22D2,23D
InChIKey
GEWUBFCXNZWHKH-GWRKHGKMSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-1,1,2,3,3-pentadeuterio-2-hydroxypropyl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

500.36386 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.37114 213.9
[M+Na]+ 523.35308 215.5
[M-H]- 499.35658 209.3
[M+NH4]+ 518.39768 214.1
[M+K]+ 539.32702 214.0
[M+H-H2O]+ 483.36112 198.2
[M+HCOO]- 545.36206 224.8
[M+CH3COO]- 559.37771 242.0
[M+Na-2H]- 521.33853 197.9
[M]+ 500.36331 213.3
[M]- 500.36441 213.3
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.