CID 69589066

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

Structural Information

Molecular Formula
C9H9NOS
SMILES
CCC1=CC2=C(S1)C=CNC2=O
InChI
InChI=1S/C9H9NOS/c1-2-6-5-7-8(12-6)3-4-10-9(7)11/h3-5H,2H2,1H3,(H,10,11)
InChIKey
QLAOSUCACFAQOM-UHFFFAOYSA-N
Compound name
2-ethyl-5H-thieno[3,2-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

179.04048 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.047756 133.1
[M+Na]+ 202.029698 145.4
[M-H]- 178.033204 136.5
[M+NH4]+ 197.074303 155.6
[M+K]+ 218.003638 140.8
[M+H-H2O]+ 162.037740 128.2
[M+HCOO]- 224.038681 152.5
[M+CH3COO]- 238.054331 147.9
[M+Na-2H]- 200.015146 137.9
[M]+ 179.03993142 136.8
[M]- 179.04102858 136.8
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

patents stripe