CID 52922287

Pc(14:1(9z)/20:5(5z,8z,11z,14z,17z))

Structural Information

Molecular Formula
C42H73NO8P
SMILES
CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C42H72NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,27,29,40H,6-7,9,11-12,17-18,21,24-26,28,30-39H2,1-5H3/p+1/b10-8-,15-13-,16-14-,20-19-,23-22-,29-27-/t40-/m1/s1
InChIKey
RGCIWJSUIPUYAM-DSMUOFFXSA-O
Compound name
2-[hydroxy-[(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

750.5074 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 751.51468 275.7
[M+Na]+ 773.49662 279.3
[M+NH4]+ 768.54122 252.2
[M+K]+ 789.47056 286.8
[M-H]- 749.50012 270.9
[M+Na-2H]- 771.48207 265.0
[M]+ 750.50685 276.6
[M]- 750.50795 276.6
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.