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
2
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 288.9
[M+Na]+ 815.57992 291.3
[M+NH4]+ 810.62452 263.2
[M+K]+ 831.55386 297.9
[M-H]- 791.58342 283.2
[M+Na-2H]- 813.56537 276.5
[M]+ 792.59015 289.0
[M]- 792.59125 289.0
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.