CID 3069788

5h-(1)benzopyrano(4,3-b)pyridin-5-one

Structural Information

Molecular Formula
C12H7NO2
SMILES
C1=CC=C2C(=C1)C3=C(C=CC=N3)C(=O)O2
InChI
InChI=1S/C12H7NO2/c14-12-9-5-3-7-13-11(9)8-4-1-2-6-10(8)15-12/h1-7H
InChIKey
GNWLMVUQBPYECO-UHFFFAOYSA-N
Compound name
chromeno[4,3-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

197.04768 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05496 135.6
[M+Na]+ 220.03690 148.0
[M-H]- 196.04040 141.5
[M+NH4]+ 215.08150 154.7
[M+K]+ 236.01084 144.9
[M+H-H2O]+ 180.04494 128.3
[M+HCOO]- 242.04588 158.7
[M+CH3COO]- 256.06153 150.6
[M+Na-2H]- 218.02235 149.0
[M]+ 197.04713 139.6
[M]- 197.04823 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