CID 52923773

Pc(o-18:0/15:0)

Structural Information

Molecular Formula
C41H85NO7P
SMILES
CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C41H84NO7P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-36-46-38-40(39-48-50(44,45)47-37-35-42(3,4)5)49-41(43)34-32-30-28-26-24-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3/p+1/t40-/m1/s1
InChIKey
VHKWWPPIMCFCOI-RRHRGVEJSA-O
Compound name
2-[hydroxy-[(2R)-3-octadecoxy-2-pentadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

734.6064 Da
Monoisotopic Mass

14.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 735.61368 286.9
[M+Na]+ 757.59562 287.7
[M-H]- 733.59912 277.2
[M+NH4]+ 752.64022 292.2
[M+K]+ 773.56956 290.4
[M+H-H2O]+ 717.60366 271.2
[M+HCOO]- 779.60460 293.4
[M+CH3COO]- 793.62025 285.9
[M+Na-2H]- 755.58107 264.7
[M]+ 734.60585 284.7
[M]- 734.60695 284.7
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.