CID 52922327

Pc(15:0/20:2(11z,14z))

Structural Information

Molecular Formula
C43H83NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C43H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h14,16,20-21,41H,6-13,15,17-19,22-40H2,1-5H3/p+1/b16-14-,21-20-/t41-/m1/s1
InChIKey
XSSUJRSOHXBICQ-GPDPEMMZSA-O
Compound name
2-[hydroxy-[(2R)-2-[(11Z,14Z)-icosa-11,14-dienoyl]oxy-3-pentadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

772.58563 Da
Monoisotopic Mass

13.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 773.59291 287.2
[M+Na]+ 795.57485 289.5
[M+NH4]+ 790.61945 264.0
[M+K]+ 811.54879 294.9
[M-H]- 771.57835 281.4
[M+Na-2H]- 793.56030 274.8
[M]+ 772.58508 287.2
[M]- 772.58618 287.2
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.