CID 53481760

Pc(o-22:1(13z)/22:2(13z,16z))

Structural Information

Molecular Formula
C52H101NO7P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C52H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,51H,6-14,16,18-19,24-50H2,1-5H3/p+1/b17-15-,22-20-,23-21-/t51-/m1/s1
InChIKey
VCODWVLGDPOACA-DRGSQYEJSA-O
Compound name
2-[[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-[(Z)-docos-13-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

882.73157 Da
Monoisotopic Mass

17.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 883.73885 312.7
[M+Na]+ 905.72079 313.2
[M+NH4]+ 900.76539 287.9
[M+K]+ 921.69473 317.7
[M-H]- 881.72429 268.2
[M+Na-2H]- 903.70624 297.4
[M]+ 882.73102 311.6
[M]- 882.73212 311.6
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

patents stripe