CID 131821766

Chebi:184708

Structural Information

Molecular Formula
C55H106NO8P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C55H106NO8P/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-54(57)61-51-53(52-63-65(59,60)62-50-49-56(3)4)64-55(58)48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,53H,5-18,23-52H2,1-4H3,(H,59,60)/b21-19-,22-20-
InChIKey
RNMLBNWGHWFCFX-WRBBJXAJSA-N
Compound name
[3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[(Z)-tetracos-15-enoyl]oxypropyl] (Z)-tetracos-15-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

939.7656 Da
Monoisotopic Mass

18.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 940.77288 332.2
[M+Na]+ 962.75482 334.0
[M+NH4]+ 957.79942 338.4
[M+K]+ 978.72876 337.2
[M-H]- 938.75832 318.9
[M+Na-2H]- 960.74027 327.2
[M]+ 939.76505 330.6
[M]- 939.76615 330.6
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.