CID 210381

Ethanethiol, 2-(2-(1-naphthyloxy)ethyl)amino-, hydrogen sulfate (ester)

Structural Information

Molecular Formula
C14H17NO4S2
SMILES
C1=CC=C2C(=C1)C=CC=C2OCCNCCSS(=O)(=O)O
InChI
InChI=1S/C14H17NO4S2/c16-21(17,18)20-11-9-15-8-10-19-14-7-3-5-12-4-1-2-6-13(12)14/h1-7,15H,8-11H2,(H,16,17,18)
InChIKey
KMNUWUBGXIAURV-UHFFFAOYSA-N
Compound name
1-[2-(2-sulfosulfanylethylamino)ethoxy]naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.0599 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.067176 169.3
[M+Na]+ 350.049118 175.6
[M-H]- 326.052624 171.1
[M+NH4]+ 345.093723 183.6
[M+K]+ 366.023058 169.7
[M+H-H2O]+ 310.057160 162.7
[M+HCOO]- 372.058101 180.4
[M+CH3COO]- 386.073751 202.6
[M+Na-2H]- 348.034566 174.7
[M]+ 327.05935142 174.2
[M]- 327.06044858 174.2
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.