CID 3041322

Thieno(3,2-c)pyridinium, 5-(p-methoxyphenacyl)-, bromide

Structural Information

Molecular Formula
C16H14NO2S
SMILES
COC1=CC=C(C=C1)C(=O)C[N+]2=CC3=C(C=C2)SC=C3
InChI
InChI=1S/C16H14NO2S/c1-19-14-4-2-12(3-5-14)15(18)11-17-8-6-16-13(10-17)7-9-20-16/h2-10H,11H2,1H3/q+1
InChIKey
JJLGFFOVWRMJJK-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-thieno[3,2-c]pyridin-5-ium-5-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

284.07452 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.08180 158.7
[M+Na]+ 307.06374 175.9
[M+NH4]+ 302.10834 169.2
[M+K]+ 323.03768 168.2
[M-H]- 283.06724 165.0
[M+Na-2H]- 305.04919 168.5
[M]+ 284.07397 163.9
[M]- 284.07507 163.9
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.