CID 131821762

Pe-nme2(24:1(15z)/22:5(4z,7z,10z,13z,16z))

Structural Information

Molecular Formula
C53H94NO8P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C53H94NO8P/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/h14,16,19-22,27,30,34,36,40,42,51H,5-13,15,17-18,23-26,28-29,31-33,35,37-39,41,43-50H2,1-4H3,(H,57,58)/b16-14-,21-19-,22-20-,30-27-,36-34-,42-40-
InChIKey
NOHOMXYOODAVDY-DRNYGXILSA-N
Compound name
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxypropyl] (Z)-tetracos-15-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

903.6717 Da
Monoisotopic Mass

14.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 904.67898 318.8
[M+Na]+ 926.66092 322.7
[M+NH4]+ 921.70552 325.0
[M+K]+ 942.63486 324.9
[M-H]- 902.66442 309.2
[M+Na-2H]- 924.64637 316.1
[M]+ 903.67115 318.5
[M]- 903.67225 318.5
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.