CID 53478886

Pc(20:0/24:0)

Structural Information

Molecular Formula
C52H105NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C52H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h50H,6-49H2,1-5H3/p+1/t50-/m1/s1
InChIKey
YQWTVKDCKKUNAT-VCZQVZGSSA-O
Compound name
2-[hydroxy-[(2R)-3-icosanoyloxy-2-tetracosanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

902.75775 Da
Monoisotopic Mass

20.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 903.76503 320.6
[M+Na]+ 925.74697 319.9
[M-H]- 901.75047 309.8
[M+NH4]+ 920.79157 328.4
[M+K]+ 941.72091 327.3
[M+H-H2O]+ 885.75501 304.7
[M+HCOO]- 947.75595 321.1
[M+CH3COO]- 961.77160 314.4
[M+Na-2H]- 923.73242 295.1
[M]+ 902.75720 320.2
[M]- 902.75830 320.2
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.