CID 46907871

1-palmitoyl-2-azelaoyl-sn-glycero-3-phosphocholine(1-)

Structural Information

Molecular Formula
C33H65NO10P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC(=O)O
InChI
InChI=1S/C33H64NO10P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-32(37)41-28-30(29-43-45(39,40)42-27-26-34(2,3)4)44-33(38)25-22-19-16-17-20-23-31(35)36/h30H,5-29H2,1-4H3,(H-,35,36,39,40)/p+1/t30-/m1/s1
InChIKey
GHQQYDSARXURNG-SSEXGKCCSA-O
Compound name
2-[[(2R)-2-(8-carboxyoctanoyloxy)-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

666.43463 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.44191 258.6
[M+Na]+ 689.42385 262.5
[M+NH4]+ 684.46845 238.1
[M+K]+ 705.39779 268.6
[M-H]- 665.42735 253.9
[M+Na-2H]- 687.40930 249.3
[M]+ 666.43408 259.6
[M]- 666.43518 259.6
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