CID 54685949

99429-76-2

Structural Information

Molecular Formula
C11H11NO4S
SMILES
CCOC(=O)C1=C(C2=C(N(C1=O)C)SC=C2)O
InChI
InChI=1S/C11H11NO4S/c1-3-16-11(15)7-8(13)6-4-5-17-10(6)12(2)9(7)14/h4-5,13H,3H2,1-2H3
InChIKey
STDIJXNFRMZZGY-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-7-methyl-6-oxothieno[2,3-b]pyridine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.04088 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04816 154.3
[M+Na]+ 276.03010 166.6
[M+NH4]+ 271.07470 161.3
[M+K]+ 292.00404 161.5
[M-H]- 252.03360 154.3
[M+Na-2H]- 274.01555 157.6
[M]+ 253.04033 156.4
[M]- 253.04143 156.4
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.