CID 3041324

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

Structural Information

Molecular Formula
C16H14NO2S
SMILES
COC1=CC=CC(=C1)C(=O)C[N+]2=CC3=C(C=C2)SC=C3
InChI
InChI=1S/C16H14NO2S/c1-19-14-4-2-3-12(9-14)15(18)11-17-7-5-16-13(10-17)6-8-20-16/h2-10H,11H2,1H3/q+1
InChIKey
PRTPZFZYKKCJAC-UHFFFAOYSA-N
Compound name
1-(3-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 165.2
[M+Na]+ 307.06374 175.2
[M-H]- 283.06724 172.8
[M+NH4]+ 302.10834 182.9
[M+K]+ 323.03768 165.0
[M+H-H2O]+ 267.07178 160.6
[M+HCOO]- 329.07272 184.0
[M+CH3COO]- 343.08837 191.3
[M+Na-2H]- 305.04919 170.4
[M]+ 284.07397 169.7
[M]- 284.07507 169.7
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.