CID 52923831

Pc(o-20:0/18:1(9z))

Structural Information

Molecular Formula
C46H93NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C46H92NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-41-51-43-45(44-53-55(49,50)52-42-40-47(3,4)5)54-46(48)39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h21,25,45H,6-20,22-24,26-44H2,1-5H3/p+1/b25-21-/t45-/m1/s1
InChIKey
IGEGTPMMSCKVHN-ZXJDXLSOSA-O
Compound name
2-[hydroxy-[(2R)-3-icosoxy-2-[(Z)-octadec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

802.66895 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 803.67623 300.5
[M+Na]+ 825.65817 300.9
[M-H]- 801.66167 289.7
[M+NH4]+ 820.70277 306.0
[M+K]+ 841.63211 305.4
[M+H-H2O]+ 785.66621 284.4
[M+HCOO]- 847.66715 305.9
[M+CH3COO]- 861.68280 297.6
[M+Na-2H]- 823.64362 276.9
[M]+ 802.66840 298.4
[M]- 802.66950 298.4
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.