CID 52923440

Pc(22:0/15:0)

Structural Information

Molecular Formula
C45H91NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C45H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-28-29-31-33-35-37-44(47)51-41-43(42-53-55(49,50)52-40-39-46(3,4)5)54-45(48)38-36-34-32-30-27-19-17-15-13-11-9-7-2/h43H,6-42H2,1-5H3/p+1/t43-/m1/s1
InChIKey
AAQYYLOZSPSSEX-VZUYHUTRSA-O
Compound name
2-[[(2R)-3-docosanoyloxy-2-pentadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

804.64825 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 805.65553 297.4
[M+Na]+ 827.63747 298.8
[M+NH4]+ 822.68207 274.5
[M+K]+ 843.61141 303.0
[M-H]- 803.64097 291.1
[M+Na-2H]- 825.62292 283.7
[M]+ 804.64770 296.8
[M]- 804.64880 296.8
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.