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-hydroxy-4-pyridinyl)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]+ 261.069226 156.3
[M+Na]+ 283.051168 164.7
[M-H]- 259.054674 160.3
[M+NH4]+ 278.095773 173.2
[M+K]+ 299.025108 160.2
[M+H-H2O]+ 243.059210 149.3
[M+HCOO]- 305.060151 169.6
[M+CH3COO]- 319.075801 167.7
[M+Na-2H]- 281.036616 157.7
[M]+ 260.06140142 156.0
[M]- 260.06249858 156.0
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.