CID 52923444

Pc(22:0/16:0)

Structural Information

Molecular Formula
C46H93NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C46H92NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/p+1/t44-/m1/s1
InChIKey
OPUHJIZEYAXETG-USYZEHPZSA-O
Compound name
2-[[(2R)-3-docosanoyloxy-2-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

2
Patents

818.6639 Da
Monoisotopic Mass

16.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 819.67118 302.2
[M+Na]+ 841.65312 302.6
[M-H]- 817.65662 293.6
[M+NH4]+ 836.69772 310.1
[M+K]+ 857.62706 307.5
[M+H-H2O]+ 801.66116 286.8
[M+HCOO]- 863.66210 305.0
[M+CH3COO]- 877.67775 299.4
[M+Na-2H]- 839.63857 278.9
[M]+ 818.66335 301.1
[M]- 818.66445 301.1
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

No patent data available for this compound.