CID 9546665

2-tetradecanoyl-sn-glycero-3-phosphocholine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
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

No literature data available for this compound.

Patent stripe

patents stripe