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]+ 240.06552 147.7
[M+Na]+ 262.04746 159.8
[M-H]- 238.05096 153.7
[M+NH4]+ 257.09206 165.1
[M+K]+ 278.02140 156.9
[M+H-H2O]+ 222.05550 140.1
[M+HCOO]- 284.05644 169.4
[M+CH3COO]- 298.07209 161.9
[M+Na-2H]- 260.03291 158.0
[M]+ 239.05769 152.9
[M]- 239.05879 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