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]+ 328.06718 169.3
[M+Na]+ 350.04912 175.6
[M-H]- 326.05262 171.1
[M+NH4]+ 345.09372 183.6
[M+K]+ 366.02306 169.7
[M+H-H2O]+ 310.05716 162.7
[M+HCOO]- 372.05810 180.4
[M+CH3COO]- 386.07375 202.6
[M+Na-2H]- 348.03457 174.7
[M]+ 327.05935 174.2
[M]- 327.06045 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.