CID 54679747

Thieno[3,2-b]pyridine-5,7-diol

Structural Information

Molecular Formula
C7H5NO2S
SMILES
C1=CSC2=C1NC(=O)C=C2O
InChI
InChI=1S/C7H5NO2S/c9-5-3-6(10)8-4-1-2-11-7(4)5/h1-3H,(H2,8,9,10)
InChIKey
VHXFEWNGLCHCOX-UHFFFAOYSA-N
Compound name
7-hydroxy-4H-thieno[3,2-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

167.0041 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.01138 127.8
[M+Na]+ 189.99332 140.3
[M-H]- 165.99682 130.1
[M+NH4]+ 185.03792 149.9
[M+K]+ 205.96726 135.8
[M+H-H2O]+ 150.00136 123.4
[M+HCOO]- 212.00230 146.5
[M+CH3COO]- 226.01795 142.5
[M+Na-2H]- 187.97877 133.3
[M]+ 167.00355 130.4
[M]- 167.00465 130.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe