CID 5313968

Pc(p-16:0/20:4(5z,8z,11z,14z))

Structural Information

Molecular Formula
C44H81NO7P
SMILES
CCCCCCCCCCCCCC/C=C\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\CCCCC
InChI
InChI=1S/C44H80NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,36,39,43H,6-13,15,17-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/p+1/b16-14-,22-20-,25-24-,31-29-,39-36-/t43-/m1/s1
InChIKey
IOYKZPNDXIIXLN-LOQSCQKMSA-O
Compound name
2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

766.5751 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 767.58238 284.8
[M+Na]+ 789.56432 287.3
[M+NH4]+ 784.60892 258.7
[M+K]+ 805.53826 293.6
[M-H]- 765.56782 279.1
[M+Na-2H]- 787.54977 272.7
[M]+ 766.57455 284.9
[M]- 766.57565 284.9
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.