CID 52922882

Pc(18:4(6z,9z,12z,15z)/13:0)

Structural Information

Molecular Formula
C39H71NO8P
SMILES
CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C39H70NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-24-25-27-29-31-38(41)45-35-37(36-47-49(43,44)46-34-33-40(3,4)5)48-39(42)32-30-28-26-23-17-15-13-11-9-7-2/h8,10,14,16,19-20,22,24,37H,6-7,9,11-13,15,17-18,21,23,25-36H2,1-5H3/p+1/b10-8-,16-14-,20-19-,24-22-/t37-/m1/s1
InChIKey
GJZVAJUBVLTZIK-XJFRHSQESA-O
Compound name
2-[hydroxy-[(2R)-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-2-tridecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

712.49176 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 713.49904 271.2
[M+Na]+ 735.48098 275.3
[M-H]- 711.48448 268.5
[M+NH4]+ 730.52558 280.5
[M+K]+ 751.45492 275.4
[M+H-H2O]+ 695.48902 256.7
[M+HCOO]- 757.48996 280.0
[M+CH3COO]- 771.50561 275.2
[M+Na-2H]- 733.46643 252.7
[M]+ 712.49121 268.7
[M]- 712.49231 268.7
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.