CID 52923054

Pc(20:0/14:1(9z))

Structural Information

Molecular Formula
C42H83NO8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCC
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/h13,15,40H,6-12,14,16-39H2,1-5H3/p+1/b15-13-/t40-/m1/s1
InChIKey
HUTFJQFEXOTHFG-LLVYEJTBSA-O
Compound name
2-[hydroxy-[(2R)-3-icosanoyloxy-2-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

10
Patents

760.58563 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 761.59291 286.2
[M+Na]+ 783.57485 288.4
[M+NH4]+ 778.61945 262.9
[M+K]+ 799.54879 293.5
[M-H]- 759.57835 280.3
[M+Na-2H]- 781.56030 273.8
[M]+ 760.58508 286.1
[M]- 760.58618 286.1
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

patents stripe