CID 53480822

Pc(p-18:1(9z)/20:4(5z,8z,11z,14z))

Structural Information

Molecular Formula
C46H83NO7P
SMILES
CCCCCCCC/C=C\CCCCCC/C=C\OC[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/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h14,16,20-23,25,27,31,33,38,41,45H,6-13,15,17-19,24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/p+1/b16-14-,22-20-,23-21-,27-25-,33-31-,41-38-/t45-/m1/s1
InChIKey
HNUHLIYPMNZVJJ-HCMWKDOBSA-O
Compound name
2-[hydroxy-[(2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy-3-[(1Z,9Z)-octadeca-1,9-dienoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

792.5907 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 793.59798 289.7
[M+Na]+ 815.57992 293.2
[M-H]- 791.58342 283.1
[M+NH4]+ 810.62452 296.9
[M+K]+ 831.55386 295.3
[M+H-H2O]+ 775.58796 273.9
[M+HCOO]- 837.58890 299.2
[M+CH3COO]- 851.60455 290.6
[M+Na-2H]- 813.56537 268.7
[M]+ 792.59015 286.7
[M]- 792.59125 286.7
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.