CID 53481752

Pc(o-22:0/20:4(8z,11z,14z,17z))

Structural Information

Molecular Formula
C50H95NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChI
InChI=1S/C50H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-26-28-30-32-34-36-38-40-42-45-55-47-49(48-57-59(53,54)56-46-44-51(3,4)5)58-50(52)43-41-39-37-35-33-31-29-27-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,29,31,35,37,49H,6-14,16,18-20,22,24-28,30,32-34,36,38-48H2,1-5H3/p+1/b17-15-,23-21-,31-29-,37-35-/t49-/m1/s1
InChIKey
PFSAGEUWPWJOBK-QENZFRSWSA-O
Compound name
2-[[(2R)-3-docosoxy-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

852.68463 Da
Monoisotopic Mass

16.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 853.69191 304.9
[M+Na]+ 875.67385 306.1
[M+NH4]+ 870.71845 279.9
[M+K]+ 891.64779 311.3
[M-H]- 851.67735 261.6
[M+Na-2H]- 873.65930 290.6
[M]+ 852.68408 304.2
[M]- 852.68518 304.2
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.