CID 288525

4h,5h-thieno[3,2-c]pyridin-4-one

Structural Information

Molecular Formula
C7H5NOS
SMILES
C1=CNC(=O)C2=C1SC=C2
InChI
InChI=1S/C7H5NOS/c9-7-5-2-4-10-6(5)1-3-8-7/h1-4H,(H,8,9)
InChIKey
DUPNPBCUJHMSFZ-UHFFFAOYSA-N
Compound name
5H-thieno[3,2-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

270
Patents

151.00919 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.01647 124.2
[M+Na]+ 173.99841 136.5
[M-H]- 150.00191 127.6
[M+NH4]+ 169.04301 147.5
[M+K]+ 189.97235 132.5
[M+H-H2O]+ 134.00645 119.5
[M+HCOO]- 196.00739 144.3
[M+CH3COO]- 210.02304 139.5
[M+Na-2H]- 171.98386 130.7
[M]+ 151.00864 126.8
[M]- 151.00974 126.8
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