CID 501097

62382-19-8

Structural Information

Molecular Formula
C14H15NO3S
SMILES
CCOC1=CC=CC=C1CS(=O)C2=CC=CC=[N+]2[O-]
InChI
InChI=1S/C14H15NO3S/c1-2-18-13-8-4-3-7-12(13)11-19(17)14-9-5-6-10-15(14)16/h3-10H,2,11H2,1H3
InChIKey
MAVVKWRTWYYELR-UHFFFAOYSA-N
Compound name
2-[(2-ethoxyphenyl)methylsulfinyl]-1-oxidopyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

277.07727 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.08455 160.6
[M+Na]+ 300.06649 167.8
[M-H]- 276.06999 164.9
[M+NH4]+ 295.11109 174.6
[M+K]+ 316.04043 158.8
[M+H-H2O]+ 260.07453 157.2
[M+HCOO]- 322.07547 177.3
[M+CH3COO]- 336.09112 187.0
[M+Na-2H]- 298.05194 164.5
[M]+ 277.07672 161.6
[M]- 277.07782 161.6
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

patents stripe