CID 52926979

Pg(22:0/19:0)

Structural Information

Molecular Formula
C47H93O10P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C47H93O10P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-26-28-30-32-34-36-38-46(50)54-42-45(43-56-58(52,53)55-41-44(49)40-48)57-47(51)39-37-35-33-31-29-27-24-20-18-16-14-12-10-8-6-4-2/h44-45,48-49H,3-43H2,1-2H3,(H,52,53)/t44-,45+/m0/s1
InChIKey
LXPGMLUUADAOEK-YWPUXERESA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-nonadecanoyloxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

848.65063 Da
Monoisotopic Mass

17.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 849.65791 306.5
[M+Na]+ 871.63985 303.9
[M-H]- 847.64335 293.9
[M+NH4]+ 866.68445 311.0
[M+K]+ 887.61379 310.7
[M+H-H2O]+ 831.64789 295.5
[M+HCOO]- 893.64883 299.5
[M+CH3COO]- 907.66448 300.9
[M+Na-2H]- 869.62530 280.6
[M]+ 848.65008 306.4
[M]- 848.65118 306.4
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.