CID 10038928

2-amino-7-fluoro-5-oxo-5h-chromeno[2,3-b]pyridine-3-carboxamide

Structural Information

Molecular Formula
C13H8FN3O3
SMILES
C1=CC2=C(C=C1F)C(=O)C3=CC(=C(N=C3O2)N)C(=O)N
InChI
InChI=1S/C13H8FN3O3/c14-5-1-2-9-6(3-5)10(18)7-4-8(12(16)19)11(15)17-13(7)20-9/h1-4H,(H2,15,17)(H2,16,19)
InChIKey
GCHMLYYPYFXLQB-UHFFFAOYSA-N
Compound name
2-amino-7-fluoro-5-oxochromeno[2,3-b]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.05496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06224 157.6
[M+Na]+ 296.04418 170.2
[M-H]- 272.04768 161.9
[M+NH4]+ 291.08878 172.8
[M+K]+ 312.01812 166.4
[M+H-H2O]+ 256.05222 148.8
[M+HCOO]- 318.05316 179.1
[M+CH3COO]- 332.06881 170.4
[M+Na-2H]- 294.02963 165.0
[M]+ 273.05441 159.0
[M]- 273.05551 159.0
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

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