CID 3073329

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

Structural Information

Molecular Formula
C11H6N2O2S
SMILES
C1=CC2=C(C(=O)C=C(O2)C3=NC=CS3)N=C1
InChI
InChI=1S/C11H6N2O2S/c14-7-6-9(11-13-4-5-16-11)15-8-2-1-3-12-10(7)8/h1-6H
InChIKey
ZYWMWKABKQHNEW-UHFFFAOYSA-N
Compound name
2-(1,3-thiazol-2-yl)pyrano[3,2-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.015 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.02228 144.0
[M+Na]+ 253.00422 157.5
[M-H]- 229.00772 151.5
[M+NH4]+ 248.04882 162.0
[M+K]+ 268.97816 154.1
[M+H-H2O]+ 213.01226 137.2
[M+HCOO]- 275.01320 164.0
[M+CH3COO]- 289.02885 158.8
[M+Na-2H]- 250.98967 151.0
[M]+ 230.01445 150.1
[M]- 230.01555 150.1
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.