CID 52925006

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

Structural Information

Molecular Formula
C43H88NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C43H88NO7P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-38-48-40-42(41-50-52(46,47)49-39-37-44)51-43(45)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h42H,3-41,44H2,1-2H3,(H,46,47)/t42-/m1/s1
InChIKey
OUQOGWWWIWRQDT-HUESYALOSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-icosoxypropan-2-yl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

761.6298 Da
Monoisotopic Mass

13.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 762.63708 290.3
[M+Na]+ 784.61902 291.2
[M-H]- 760.62252 276.0
[M+NH4]+ 779.66362 291.6
[M+K]+ 800.59296 294.6
[M+H-H2O]+ 744.62706 279.0
[M+HCOO]- 806.62800 289.7
[M+CH3COO]- 820.64365 295.2
[M+Na-2H]- 782.60447 266.4
[M]+ 761.62925 286.4
[M]- 761.63035 286.4
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.