CID 52923791

Pc(o-18:0/19:0)

Structural Information

Molecular Formula
C45H93NO7P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C45H92NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-45(47)53-44(43-52-54(48,49)51-41-39-46(3,4)5)42-50-40-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h44H,6-43H2,1-5H3/p+1/t44-/m1/s1
InChIKey
BNNZAZFGFZPEQX-USYZEHPZSA-O
Compound name
2-[hydroxy-[(2R)-2-nonadecanoyloxy-3-octadecoxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

790.66895 Da
Monoisotopic Mass

16.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 791.67623 299.8
[M+Na]+ 813.65817 299.8
[M-H]- 789.66167 288.6
[M+NH4]+ 808.70277 305.0
[M+K]+ 829.63211 304.2
[M+H-H2O]+ 773.66621 283.7
[M+HCOO]- 835.66715 304.7
[M+CH3COO]- 849.68280 296.4
[M+Na-2H]- 811.64362 276.0
[M]+ 790.66840 297.8
[M]- 790.66950 297.8
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.