CID 444675

[1-myristoyl-glycerol-3-yl]phosphonylcholine

Structural Information

Molecular Formula
C22H47NO7P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/p+1/t21-/m1/s1
InChIKey
VXUOFDJKYGDUJI-OAQYLSRUSA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-tetradecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

1091
Patents

468.30902 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.316296 219.1
[M+Na]+ 491.298238 222.5
[M-H]- 467.301744 216.2
[M+NH4]+ 486.342843 222.6
[M+K]+ 507.272178 217.3
[M+H-H2O]+ 451.306280 204.5
[M+HCOO]- 513.307221 231.6
[M+CH3COO]- 527.322871 230.4
[M+Na-2H]- 489.283686 204.5
[M]+ 468.30847142 215.8
[M]- 468.30956858 215.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe