CID 38831

Dimethyl(2-((ethoxymethylphosphinyl)thio)ethyl)-m-methoxyphenylammonium methyl sulfate

Structural Information

Molecular Formula
C14H25NO3PS
SMILES
CCOP(=O)(C)SCC[N+](C)(C)C1=CC(=CC=C1)OC
InChI
InChI=1S/C14H25NO3PS/c1-6-18-19(5,16)20-11-10-15(2,3)13-8-7-9-14(12-13)17-4/h7-9,12H,6,10-11H2,1-5H3/q+1
InChIKey
FYPNJUJCLCLHHV-UHFFFAOYSA-N
Compound name
2-[ethoxy(methyl)phosphoryl]sulfanylethyl-(3-methoxyphenyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.12927 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.136546 171.3
[M+Na]+ 341.118488 176.9
[M-H]- 317.121994 175.1
[M+NH4]+ 336.163093 187.4
[M+K]+ 357.092428 169.7
[M+H-H2O]+ 301.126530 164.8
[M+HCOO]- 363.127471 194.2
[M+CH3COO]- 377.143121 204.8
[M+Na-2H]- 339.103936 175.6
[M]+ 318.12872142 178.1
[M]- 318.12981858 178.1
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.