CID 3073328

4h-pyrano(3,2-b)pyridin-4-one, 2-(2-thienyl)-

Structural Information

Molecular Formula
C12H7NO2S
SMILES
C1=CC2=C(C(=O)C=C(O2)C3=CC=CS3)N=C1
InChI
InChI=1S/C12H7NO2S/c14-8-7-10(11-4-2-6-16-11)15-9-3-1-5-13-12(8)9/h1-7H
InChIKey
RYLUYQXCNJPQFD-UHFFFAOYSA-N
Compound name
2-thiophen-2-ylpyrano[3,2-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.01974 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.02702 144.2
[M+Na]+ 252.00896 161.1
[M+NH4]+ 247.05356 154.3
[M+K]+ 267.98290 153.1
[M-H]- 228.01246 150.5
[M+Na-2H]- 249.99441 153.6
[M]+ 229.01919 149.1
[M]- 229.02029 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.