CID 52923094

Pc(20:1(11z)/14:0)

Structural Information

Molecular Formula
C42H83NO8P
SMILES
CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-26-28-30-32-34-41(44)48-38-40(39-50-52(46,47)49-37-36-43(3,4)5)51-42(45)35-33-31-29-27-24-17-15-13-11-9-7-2/h19-20,40H,6-18,21-39H2,1-5H3/p+1/b20-19-/t40-/m1/s1
InChIKey
WSBNPWBHAOQZJF-OIJJMQLXSA-O
Compound name
2-[hydroxy-[(2R)-3-[(Z)-icos-11-enoyl]oxy-2-tetradecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2
Patents

760.58563 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 761.592906 287.2
[M+Na]+ 783.574848 288.9
[M-H]- 759.578354 280.9
[M+NH4]+ 778.619453 295.4
[M+K]+ 799.548788 291.7
[M+H-H2O]+ 743.582890 272.3
[M+HCOO]- 805.583831 292.3
[M+CH3COO]- 819.599481 287.6
[M+Na-2H]- 781.560296 266.0
[M]+ 760.58508142 285.5
[M]- 760.58617858 285.5
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.