CID 5706571

7-hydroxy-4-(pyridin-2-yl)coumarin

Structural Information

Molecular Formula
C14H9NO3
SMILES
C1=CC=NC(=C1)C2=CC(=O)OC3=C2C=CC(=C3)O
InChI
InChI=1S/C14H9NO3/c16-9-4-5-10-11(12-3-1-2-6-15-12)8-14(17)18-13(10)7-9/h1-8,16H
InChIKey
WJXWVAVFUWNSBN-UHFFFAOYSA-N
Compound name
7-hydroxy-4-pyridin-2-ylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

239.05824 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.06552 149.3
[M+Na]+ 262.04746 160.0
[M-H]- 238.05096 155.9
[M+NH4]+ 257.09206 164.7
[M+K]+ 278.02140 156.5
[M+H-H2O]+ 222.05550 141.2
[M+HCOO]- 284.05644 170.5
[M+CH3COO]- 298.07209 162.6
[M+Na-2H]- 260.03291 158.6
[M]+ 239.05769 151.1
[M]- 239.05879 151.1
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