CID 52923813

Pc(o-20:0/14:0)

Structural Information

Molecular Formula
C42H87NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C42H86NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-26-28-30-32-34-37-47-39-41(40-49-51(45,46)48-38-36-43(3,4)5)50-42(44)35-33-31-29-27-25-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3/p+1/t41-/m1/s1
InChIKey
WYLXSSKRFXZLGS-VQJSHJPSSA-O
Compound name
2-[hydroxy-[(2R)-3-icosoxy-2-tetradecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

748.622 Da
Monoisotopic Mass

15.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.62928 290.2
[M+Na]+ 771.61122 290.7
[M-H]- 747.61472 280.1
[M+NH4]+ 766.65582 295.4
[M+K]+ 787.58516 293.9
[M+H-H2O]+ 731.61926 274.4
[M+HCOO]- 793.62020 296.2
[M+CH3COO]- 807.63585 288.5
[M+Na-2H]- 769.59667 267.5
[M]+ 748.62145 288.0
[M]- 748.62255 288.0
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.