CID 52922766

Pc(18:3(6z,9z,12z)/14:1(9z))

Structural Information

Molecular Formula
C40H73NO8P
SMILES
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C40H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-22-17-15-13-11-9-7-2/h13-16,19-20,23-24,38H,6-12,17-18,21-22,25-37H2,1-5H3/p+1/b15-13-,16-14-,20-19-,24-23-/t38-/m1/s1
InChIKey
NPXTVNLLGVNVDJ-YJGZTRTOSA-O
Compound name
2-[hydroxy-[(2R)-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

726.5074 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 727.51468 273.5
[M+Na]+ 749.49662 277.0
[M+NH4]+ 744.54122 249.9
[M+K]+ 765.47056 283.7
[M-H]- 725.50012 268.5
[M+Na-2H]- 747.48207 262.9
[M]+ 726.50685 274.3
[M]- 726.50795 274.3
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.