CID 73355

103304-64-9

Structural Information

Molecular Formula
C26H57NO5PS
SMILES
CCCCCCCCCCCCCCCCSCC(COP(=O)(O)OCC[N+](C)(C)C)OCC
InChI
InChI=1S/C26H56NO5PS/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-23-34-25-26(30-7-2)24-32-33(28,29)31-22-21-27(3,4)5/h26H,6-25H2,1-5H3/p+1
InChIKey
BXWFBXZXSGLVPU-UHFFFAOYSA-O
Compound name
2-[(2-ethoxy-3-hexadecylsulfanylpropoxy)-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

45
Patents

526.3695 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 527.37678 245.5
[M+Na]+ 549.35872 246.8
[M-H]- 525.36222 234.2
[M+NH4]+ 544.40332 246.6
[M+K]+ 565.33266 244.7
[M+H-H2O]+ 509.36676 230.0
[M+HCOO]- 571.36770 257.9
[M+CH3COO]- 585.38335 245.2
[M+Na-2H]- 547.34417 227.2
[M]+ 526.36895 243.9
[M]- 526.37005 243.9
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

patents stripe