CID 131821734

Pe-nme2(24:0/22:4(7z,10z,13z,16z))

Structural Information

Molecular Formula
C53H98NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C53H98NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-26-28-29-31-33-35-37-39-41-43-45-52(55)59-49-51(50-61-63(57,58)60-48-47-54(3)4)62-53(56)46-44-42-40-38-36-34-32-30-27-24-22-20-18-16-14-12-10-8-6-2/h14,16,20,22,27,30,34,36,51H,5-13,15,17-19,21,23-26,28-29,31-33,35,37-50H2,1-4H3,(H,57,58)/b16-14-,22-20-,30-27-,36-34-
InChIKey
XTAZYFOSAVSFAQ-NWUDSAAZSA-N
Compound name
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

907.703 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 908.71028 322.5
[M+Na]+ 930.69222 325.4
[M+NH4]+ 925.73682 328.7
[M+K]+ 946.66616 327.9
[M-H]- 906.69572 311.3
[M+Na-2H]- 928.67767 318.9
[M]+ 907.70245 321.6
[M]- 907.70355 321.6
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.