CID 52926986

Pg(22:0/21:0)

Structural Information

Molecular Formula
C49H97O10P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C49H97O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-48(52)56-44-47(45-58-60(54,55)57-43-46(51)42-50)59-49(53)41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h46-47,50-51H,3-45H2,1-2H3,(H,54,55)/t46-,47+/m0/s1
InChIKey
GLZDECUQFZYGEZ-KBRGEABDSA-N
Compound name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-henicosanoyloxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

876.68195 Da
Monoisotopic Mass

18.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 877.68923 312.7
[M+Na]+ 899.67117 309.8
[M-H]- 875.67467 299.3
[M+NH4]+ 894.71577 317.1
[M+K]+ 915.64511 317.3
[M+H-H2O]+ 859.67921 301.5
[M+HCOO]- 921.68015 304.9
[M+CH3COO]- 935.69580 305.8
[M+Na-2H]- 897.65662 286.1
[M]+ 876.68140 312.9
[M]- 876.68250 312.9
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.