CID 5313730

Pc(24:0/18:1(9z))

Structural Information

Molecular Formula
C50H99NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C50H98NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h21,28,48H,6-20,22-27,29-47H2,1-5H3/p+1/b28-21-/t48-/m1/s1
InChIKey
RPFJUYGHQKYVGN-FQUFUIAJSA-O
Compound name
2-[hydroxy-[(2R)-2-[(Z)-octadec-9-enoyl]oxy-3-tetracosanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2
Patents

872.7108 Da
Monoisotopic Mass

18.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 873.71808 310.0
[M+Na]+ 895.70002 310.7
[M+NH4]+ 890.74462 288.1
[M+K]+ 911.67396 315.0
[M-H]- 871.70352 268.6
[M+Na-2H]- 893.68547 295.0
[M]+ 872.71025 309.1
[M]- 872.71135 309.1
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

patents stripe