CID 52923542

Pc(22:1(11z)/22:2(13z,16z))

Structural Information

Molecular Formula
C52H99NO8P
SMILES
CCCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C52H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23-24,26,50H,6-14,16,18-20,22,25,27-49H2,1-5H3/p+1/b17-15-,23-21-,26-24-/t50-/m1/s1
InChIKey
GZZUNXHFXFGEBB-MXZPZXETSA-O
Compound name
2-[[(2R)-2-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-[(Z)-docos-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

896.7108 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 897.71808 313.8
[M+Na]+ 919.70002 314.9
[M-H]- 895.70352 305.5
[M+NH4]+ 914.74462 322.6
[M+K]+ 935.67396 321.0
[M+H-H2O]+ 879.70806 298.1
[M+HCOO]- 941.70900 316.8
[M+CH3COO]- 955.72465 310.6
[M+Na-2H]- 917.68547 289.9
[M]+ 896.71025 312.9
[M]- 896.71135 312.9
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.