CID 5313394

Pc(18:0/22:0)

Structural Information

Molecular Formula
C48H97NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C48H96NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h46H,6-45H2,1-5H3/p+1/t46-/m1/s1
InChIKey
XCPRRNDRDMFPPP-YACUFSJGSA-O
Compound name
2-[[(2R)-2-docosanoyloxy-3-octadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1
Patents

846.6952 Da
Monoisotopic Mass

17.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 847.70248 306.2
[M+Na]+ 869.68442 307.1
[M+NH4]+ 864.72902 283.9
[M+K]+ 885.65836 311.0
[M-H]- 845.68792 299.7
[M+Na-2H]- 867.66987 291.6
[M]+ 846.69465 305.3
[M]- 846.69575 305.3
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