CID 5313410

1-octadecanoyl-2-tetracosanoyl-sn-glycero-3-phosphocholine

Structural Information

Molecular Formula
C50H101NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C50H100NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-21-19-17-15-13-11-9-7-2/h48H,6-47H2,1-5H3/p+1/t48-/m1/s1
InChIKey
JAGKNQMHXVLJKL-QSCHNALKSA-O
Compound name
2-[hydroxy-[(2R)-3-octadecanoyloxy-2-tetracosanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

2
Patents

874.7265 Da
Monoisotopic Mass

19.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 875.73378 312.0
[M+Na]+ 897.71572 312.4
[M+NH4]+ 892.76032 290.0
[M+K]+ 913.68966 316.2
[M-H]- 873.71922 305.2
[M+Na-2H]- 895.70117 296.7
[M]+ 874.72595 310.9
[M]- 874.72705 310.9
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