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]+ 319.13655 171.3
[M+Na]+ 341.11849 176.9
[M-H]- 317.12199 175.1
[M+NH4]+ 336.16309 187.4
[M+K]+ 357.09243 169.7
[M+H-H2O]+ 301.12653 164.8
[M+HCOO]- 363.12747 194.2
[M+CH3COO]- 377.14312 204.8
[M+Na-2H]- 339.10394 175.6
[M]+ 318.12872 178.1
[M]- 318.12982 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.