CID 135916216

Benzyl-2-pyridylhydroxyiminomethyl thioether methiodide

Structural Information

Molecular Formula
C14H15N2OS
SMILES
C[N+]1=CC=CC=C1/C(=N/O)/SCC2=CC=CC=C2
InChI
InChI=1S/C14H14N2OS/c1-16-10-6-5-9-13(16)14(15-17)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3/p+1
InChIKey
NTRATFGONYFUHD-UHFFFAOYSA-O
Compound name
benzyl (2Z)-N-hydroxy-1-methylpyridin-1-ium-2-carboximidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0905 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09778 157.5
[M+Na]+ 282.07972 164.4
[M-H]- 258.08322 163.2
[M+NH4]+ 277.12432 172.8
[M+K]+ 298.05366 154.1
[M+H-H2O]+ 242.08776 152.0
[M+HCOO]- 304.08870 175.6
[M+CH3COO]- 318.10435 188.2
[M+Na-2H]- 280.06517 163.5
[M]+ 259.08995 157.4
[M]- 259.09105 157.4
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.