CID 501165

2-(1-oxy-pyridine-2-sulfinyl)-2-o-tolyl-acetamide

Structural Information

Molecular Formula
C14H14N2O3S
SMILES
CC1=CC=CC=C1C(C(=O)N)S(=O)C2=CC=CC=[N+]2[O-]
InChI
InChI=1S/C14H14N2O3S/c1-10-6-2-3-7-11(10)13(14(15)17)20(19)12-8-4-5-9-16(12)18/h2-9,13H,1H3,(H2,15,17)
InChIKey
RPRGEIZOFXLRQP-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfinylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0725 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.07978 162.0
[M+Na]+ 313.06172 167.7
[M-H]- 289.06522 165.7
[M+NH4]+ 308.10632 174.4
[M+K]+ 329.03566 158.6
[M+H-H2O]+ 273.06976 158.7
[M+HCOO]- 335.07070 177.1
[M+CH3COO]- 349.08635 191.4
[M+Na-2H]- 311.04717 163.8
[M]+ 290.07195 159.4
[M]- 290.07305 159.4
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.