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
2
Annotation Hits

0
References

66
Patents

468.30902 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.31630 219.1
[M+Na]+ 491.29824 222.5
[M-H]- 467.30174 216.2
[M+NH4]+ 486.34284 222.6
[M+K]+ 507.27218 217.3
[M+H-H2O]+ 451.30628 204.5
[M+HCOO]- 513.30722 231.6
[M+CH3COO]- 527.32287 230.4
[M+Na-2H]- 489.28369 204.5
[M]+ 468.30847 215.8
[M]- 468.30957 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