CID 53481732

Pc(o-18:1(9z)/22:0)

Structural Information

Molecular Formula
C48H97NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C48H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-48(50)56-47(46-55-57(51,52)54-44-42-49(3,4)5)45-53-43-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h21,23,47H,6-20,22,24-46H2,1-5H3/p+1/b23-21-/t47-/m1/s1
InChIKey
VTSFZGCXFALJSV-FYAZAUILSA-O
Compound name
2-[[(2R)-2-docosanoyloxy-3-[(Z)-octadec-9-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

830.70026 Da
Monoisotopic Mass

17.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 831.70754 305.3
[M+Na]+ 853.68948 305.9
[M+NH4]+ 848.73408 279.4
[M+K]+ 869.66342 309.8
[M-H]- 829.69298 298.4
[M+Na-2H]- 851.67493 290.5
[M]+ 830.69971 304.1
[M]- 830.70081 304.1
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