CID 52927317

Pg(o-20:0/22:0)

Structural Information

Molecular Formula
C48H97O9P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OC[C@H](CO)O
InChI
InChI=1S/C48H97O9P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-48(51)57-47(45-56-58(52,53)55-43-46(50)42-49)44-54-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h46-47,49-50H,3-45H2,1-2H3,(H,52,53)/t46-,47+/m0/s1
InChIKey
HEKYKUXTGUKOIP-KBRGEABDSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-icosoxypropan-2-yl] docosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

848.687 Da
Monoisotopic Mass

18.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 849.69428 308.1
[M+Na]+ 871.67622 304.7
[M-H]- 847.67972 292.0
[M+NH4]+ 866.72082 309.8
[M+K]+ 887.65016 311.9
[M+H-H2O]+ 831.68426 296.2
[M+HCOO]- 893.68520 302.4
[M+CH3COO]- 907.70085 302.4
[M+Na-2H]- 869.66167 281.1
[M]+ 848.68645 307.1
[M]- 848.68755 307.1
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.