CID 53478658

Phosphatidylcholine(15:0/24:0)

Structural Information

Molecular Formula
C47H95NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C47H94NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-47(50)56-45(44-55-57(51,52)54-42-41-48(3,4)5)43-53-46(49)39-37-35-33-31-29-19-17-15-13-11-9-7-2/h45H,6-44H2,1-5H3/p+1/t45-/m1/s1
InChIKey
RDURBYLGLCHSPP-WBVITSLISA-O
Compound name
2-[hydroxy-[(2R)-3-pentadecanoyloxy-2-tetracosanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

832.6795 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 833.68678 303.3
[M+Na]+ 855.66872 304.3
[M+NH4]+ 850.71332 280.8
[M+K]+ 871.64266 308.4
[M-H]- 831.67222 296.8
[M+Na-2H]- 853.65417 289.0
[M]+ 832.67895 302.5
[M]- 832.68005 302.5
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

No patent data available for this compound.