CID 53479242

Phosphatidylcholine(22:2/24:1)

Structural Information

Molecular Formula
C54H103NO8P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C54H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,52H,6-14,16,18-19,24-51H2,1-5H3/p+1/b17-15-,22-20-,23-21-/t52-/m1/s1
InChIKey
SVISKMCNDNFRNK-DWFZIUQNSA-O
Compound name
2-[[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-2-[(Z)-tetracos-15-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

924.7421 Da
Monoisotopic Mass

18.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 925.74938 317.2
[M+Na]+ 947.73132 317.8
[M+NH4]+ 942.77592 296.7
[M+K]+ 963.70526 322.7
[M-H]- 923.73482 277.5
[M+Na-2H]- 945.71677 301.8
[M]+ 924.74155 316.3
[M]- 924.74265 316.3
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.