CID 52924029

Pc(p-20:0/22:0)

Structural Information

Molecular Formula
C50H101NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C50H100NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h42,45,49H,6-41,43-44,46-48H2,1-5H3/p+1/b45-42-/t49-/m1/s1
InChIKey
XZLIQKAAADYDDU-SMXHJUKLSA-O
Compound name
2-[[(2R)-2-docosanoyloxy-3-[(Z)-icos-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

858.73157 Da
Monoisotopic Mass

19.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 859.73885 312.9
[M+Na]+ 881.72079 312.5
[M-H]- 857.72429 300.6
[M+NH4]+ 876.76539 318.3
[M+K]+ 897.69473 318.7
[M+H-H2O]+ 841.72883 296.4
[M+HCOO]- 903.72977 316.7
[M+CH3COO]- 917.74542 307.9
[M+Na-2H]- 879.70624 287.7
[M]+ 858.73102 311.2
[M]- 858.73212 311.2
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.