CID 52923817

Pc(o-20:0/15:0)

Structural Information

Molecular Formula
C43H89NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C43H88NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-38-48-40-42(41-50-52(46,47)49-39-37-44(3,4)5)51-43(45)36-34-32-30-28-26-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/p+1/t42-/m1/s1
InChIKey
YGHJYIIVSPDYDA-HUESYALOSA-O
Compound name
2-[hydroxy-[(2R)-3-icosoxy-2-pentadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

762.6377 Da
Monoisotopic Mass

15.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 763.64498 293.4
[M+Na]+ 785.62692 293.8
[M-H]- 761.63042 282.9
[M+NH4]+ 780.67152 298.6
[M+K]+ 801.60086 297.4
[M+H-H2O]+ 745.63496 277.5
[M+HCOO]- 807.63590 299.1
[M+CH3COO]- 821.65155 291.2
[M+Na-2H]- 783.61237 270.4
[M]+ 762.63715 291.3
[M]- 762.63825 291.3
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.