CID 659312

5h-chromeno[2,3-b]pyridin-5-one

Structural Information

Molecular Formula
C12H7NO2
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(O2)N=CC=C3
InChI
InChI=1S/C12H7NO2/c14-11-8-4-1-2-6-10(8)15-12-9(11)5-3-7-13-12/h1-7H
InChIKey
KWFWIGXYOMVRSA-UHFFFAOYSA-N
Compound name
chromeno[2,3-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

52
Patents

197.04768 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.054956 135.6
[M+Na]+ 220.036898 148.0
[M-H]- 196.040404 141.5
[M+NH4]+ 215.081503 154.7
[M+K]+ 236.010838 144.9
[M+H-H2O]+ 180.044940 128.3
[M+HCOO]- 242.045881 158.7
[M+CH3COO]- 256.061531 150.6
[M+Na-2H]- 218.022346 149.0
[M]+ 197.04713142 139.6
[M]- 197.04822858 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe