CID 52923829

Pc(o-20:0/18:0)

Structural Information

Molecular Formula
C46H95NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C46H94NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-41-51-43-45(44-53-55(49,50)52-42-40-47(3,4)5)54-46(48)39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h45H,6-44H2,1-5H3/p+1/t45-/m1/s1
InChIKey
FJHUSOLWXAPDEY-WBVITSLISA-O
Compound name
2-[hydroxy-[(2R)-3-icosoxy-2-octadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

804.68463 Da
Monoisotopic Mass

17.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 805.69191 303.0
[M+Na]+ 827.67385 302.7
[M-H]- 803.67735 291.4
[M+NH4]+ 822.71845 308.1
[M+K]+ 843.64779 307.6
[M+H-H2O]+ 787.68189 286.7
[M+HCOO]- 849.68283 307.5
[M+CH3COO]- 863.69848 299.0
[M+Na-2H]- 825.65930 278.8
[M]+ 804.68408 301.1
[M]- 804.68518 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.