CID 198324

53944-40-4

Structural Information

Molecular Formula
C14H9NO3
SMILES
CC(=O)C1=CC2=C(C=C1)OC3=C(C2=O)C=CC=N3
InChI
InChI=1S/C14H9NO3/c1-8(16)9-4-5-12-11(7-9)13(17)10-3-2-6-15-14(10)18-12/h2-7H,1H3
InChIKey
ZYGDCOJTJFQANG-UHFFFAOYSA-N
Compound name
7-acetylchromeno[2,3-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

239.05824 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.065516 147.7
[M+Na]+ 262.047458 159.8
[M-H]- 238.050964 153.7
[M+NH4]+ 257.092063 165.1
[M+K]+ 278.021398 156.9
[M+H-H2O]+ 222.055500 140.1
[M+HCOO]- 284.056441 169.4
[M+CH3COO]- 298.072091 161.9
[M+Na-2H]- 260.032906 158.0
[M]+ 239.05769142 152.9
[M]- 239.05878858 152.9
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

patents stripe