CID 70698772

Pc(o-24:0/20:4(8z,11z,14z,17z))

Structural Information

Molecular Formula
C52H99NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C52H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,23,31,33,51H,6-8,10,12-14,16,18-20,22,24-30,32,34-50H2,1-5H3/p+1/b11-9-,17-15-,23-21-,33-31-/t51-/m1/s1
InChIKey
VRGNWJUPWGVJBS-LTKJNOFYSA-O
Compound name
2-[hydroxy-[(2R)-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyl]oxy-3-tetracosoxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

880.71594 Da
Monoisotopic Mass

17.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 881.72322 312.1
[M+Na]+ 903.70516 313.2
[M-H]- 879.70866 301.5
[M+NH4]+ 898.74976 318.4
[M+K]+ 919.67910 318.8
[M+H-H2O]+ 863.71320 295.6
[M+HCOO]- 925.71414 317.7
[M+CH3COO]- 939.72979 309.0
[M+Na-2H]- 901.69061 287.8
[M]+ 880.71539 310.0
[M]- 880.71649 310.0
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.