CID 80039036

4-{4h,5h,6h,7h-thieno[3,2-c]pyridine-5-carbonyl}pyridin-3-ol

Structural Information

Molecular Formula
C13H12N2O2S
SMILES
C1CN(CC2=C1SC=C2)C(=O)C3=C(C=NC=C3)O
InChI
InChI=1S/C13H12N2O2S/c16-11-7-14-4-1-10(11)13(17)15-5-2-12-9(8-15)3-6-18-12/h1,3-4,6-7,16H,2,5,8H2
InChIKey
CEXFCOXKYIRLOG-UHFFFAOYSA-N
Compound name
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-hydroxypyridin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.06195 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06923 156.0
[M+Na]+ 283.05117 168.3
[M+NH4]+ 278.09577 164.5
[M+K]+ 299.02511 161.9
[M-H]- 259.05467 158.7
[M+Na-2H]- 281.03662 161.8
[M]+ 260.06140 158.8
[M]- 260.06250 158.8
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.