CID 53480014

Pe(24:0/p-18:0)

Structural Information

Molecular Formula
C47H94NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCCCCCCCCCC
InChI
InChI=1S/C47H94NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-28-30-32-34-36-38-40-47(49)53-44-46(45-55-56(50,51)54-43-41-48)52-42-39-37-35-33-31-29-27-20-18-16-14-12-10-8-6-4-2/h39,42,46H,3-38,40-41,43-45,48H2,1-2H3,(H,50,51)/b42-39-/t46-/m1/s1
InChIKey
LVQLPAUEAJEJDJ-SUCXLRAGSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-1-enoxy]propyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

815.6768 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 816.68408 299.9
[M+Na]+ 838.66602 302.3
[M+NH4]+ 833.71062 303.2
[M+K]+ 854.63996 303.8
[M-H]- 814.66952 285.2
[M+Na-2H]- 836.65147 296.4
[M]+ 815.67625 297.2
[M]- 815.67735 297.2
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.