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 157.3
[M-H]- 228.01246 153.0
[M+NH4]+ 247.05356 163.6
[M+K]+ 267.98290 153.8
[M+H-H2O]+ 212.01700 138.1
[M+HCOO]- 274.01794 165.2
[M+CH3COO]- 288.03359 159.4
[M+Na-2H]- 249.99441 150.9
[M]+ 229.01919 150.2
[M]- 229.02029 150.2
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.