CID 52927299

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

Structural Information

Molecular Formula
C44H89O9P
SMILES
CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C44H89O9P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-50-40-43(41-52-54(48,49)51-39-42(46)38-45)53-44(47)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h42-43,45-46H,3-41H2,1-2H3,(H,48,49)/t42-,43+/m0/s1
InChIKey
OJMQPGQKRVCMSB-WZYYJWNZSA-N
Compound name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-icosoxypropan-2-yl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

792.62445 Da
Monoisotopic Mass

15.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 793.63173 295.5
[M+Na]+ 815.61367 292.9
[M-H]- 791.61717 281.0
[M+NH4]+ 810.65827 297.3
[M+K]+ 831.58761 298.4
[M+H-H2O]+ 775.62171 284.1
[M+HCOO]- 837.62265 291.4
[M+CH3COO]- 851.63830 292.3
[M+Na-2H]- 813.59912 270.1
[M]+ 792.62390 294.0
[M]- 792.62500 294.0
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.