CID 5702839

7-hydroxy-4-(4-pyridyl)coumarin

Structural Information

Molecular Formula

C₁₄H₉NO₃

SMILES

C1=CC2=C(C=C1O)OC(=O)C=C2C3=CC=NC=C3

InChI

InChI=1S/C14H9NO3/c16-10-1-2-11-12(9-3-5-15-6-4-9)8-14(17)18-13(11)7-10/h1-8,16H

InChIKey

PTBKPYBPJZBSMP-UHFFFAOYSA-N

Compound name

7-hydroxy-4-pyridin-4-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	240.06552	149.6
[M+Na]+	262.04746	167.1
[M+NH4]+	257.09206	158.4
[M+K]+	278.02140	159.6
[M-H]-	238.05096	155.5
[M+Na-2H]-	260.03291	159.2
[M]+	239.05769	154.0
[M]-	239.05879	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe