CID 52924017

Pc(p-20:0/20:1(11z))

Structural Information

Molecular Formula
C48H95NO7P
SMILES
CCCCCCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C48H94NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h21,23,40,43,47H,6-20,22,24-39,41-42,44-46H2,1-5H3/p+1/b23-21-,43-40-/t47-/m1/s1
InChIKey
AVAKCOSTJXQQLK-SPACVREBSA-O
Compound name
2-[hydroxy-[(2R)-3-[(Z)-icos-1-enoxy]-2-[(Z)-icos-11-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

828.68463 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 829.69191 304.4
[M+Na]+ 851.67385 305.0
[M-H]- 827.67735 293.7
[M+NH4]+ 846.71845 310.2
[M+K]+ 867.64779 309.9
[M+H-H2O]+ 811.68189 288.1
[M+HCOO]- 873.68283 309.8
[M+CH3COO]- 887.69848 301.4
[M+Na-2H]- 849.65930 280.5
[M]+ 828.68408 302.3
[M]- 828.68518 302.3
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.