CID 3041320

Thieno(3,2-c)pyridinium, 5-(p-hydroxyphenacyl)-, chloride

Structural Information

Molecular Formula
C15H12NO2S
SMILES
C1=CC(=CC=C1C(=O)C[N+]2=CC3=C(C=C2)SC=C3)O
InChI
InChI=1S/C15H11NO2S/c17-13-3-1-11(2-4-13)14(18)10-16-7-5-15-12(9-16)6-8-19-15/h1-9H,10H2/p+1
InChIKey
KBVNEXKCRIAIHA-UHFFFAOYSA-O
Compound name
1-(4-hydroxyphenyl)-2-thieno[3,2-c]pyridin-5-ium-5-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

270.05887 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06615 160.1
[M+Na]+ 293.04809 170.0
[M-H]- 269.05159 166.5
[M+NH4]+ 288.09269 177.6
[M+K]+ 309.02203 159.2
[M+H-H2O]+ 253.05613 156.0
[M+HCOO]- 315.05707 177.7
[M+CH3COO]- 329.07272 185.7
[M+Na-2H]- 291.03354 165.5
[M]+ 270.05832 162.5
[M]- 270.05942 162.5
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.