CID 452631

Cp-59

Structural Information

Molecular Formula
C28H61NO7PS
SMILES
CCCCCCCCCCCCCCCCCCS(=O)(=O)CC(COP(=O)(O)OCC[N+](C)(C)C)OCC
InChI
InChI=1S/C28H60NO7PS/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-38(32,33)27-28(34-7-2)26-36-37(30,31)35-24-23-29(3,4)5/h28H,6-27H2,1-5H3/p+1
InChIKey
SSDWNZLAZQZHGA-UHFFFAOYSA-O
Compound name
2-[(2-ethoxy-3-octadecylsulfonylpropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

586.3906 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 587.39788 246.8
[M+Na]+ 609.37982 247.6
[M-H]- 585.38332 240.1
[M+NH4]+ 604.42442 251.5
[M+K]+ 625.35376 246.9
[M+H-H2O]+ 569.38786 229.9
[M+HCOO]- 631.38880 260.7
[M+CH3COO]- 645.40445 252.8
[M+Na-2H]- 607.36527 228.7
[M]+ 586.39005 247.1
[M]- 586.39115 247.1
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.