CID 52924031

Pc(p-20:0/22:1(11z))

Structural Information

Molecular Formula
C50H99NO7P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC
InChI
InChI=1S/C50H98NO7P/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/h24,26,42,45,49H,6-23,25,27-41,43-44,46-48H2,1-5H3/p+1/b26-24-,45-42-/t49-/m1/s1
InChIKey
KJYBTJHDRFTCEC-VZOVHYSDSA-O
Compound name
2-[[(2R)-2-[(Z)-docos-11-enoyl]oxy-3-[(Z)-icos-1-enoxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

856.71594 Da
Monoisotopic Mass

18.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 857.72322 310.5
[M+Na]+ 879.70516 310.8
[M-H]- 855.70866 299.1
[M+NH4]+ 874.74976 316.3
[M+K]+ 895.67910 316.4
[M+H-H2O]+ 839.71320 294.1
[M+HCOO]- 901.71414 315.2
[M+CH3COO]- 915.72979 306.6
[M+Na-2H]- 877.69061 285.9
[M]+ 856.71539 308.6
[M]- 856.71649 308.6
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.