CID 13295

841-97-4

Structural Information

Molecular Formula

C₁₅H₁₁NO₃

SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=NC=C3

InChI

InChI=1S/C15H11NO3/c1-18-11-2-3-12-13(10-4-6-16-7-5-10)9-15(17)19-14(12)8-11/h2-9H,1H3

InChIKey

IWMJGRNPLOQFAS-UHFFFAOYSA-N

Compound name

7-methoxy-4-pyridin-4-ylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 253.0739 Da
Monoisotopic Mass: 2.4
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]+	254.081176	153.7
[M+Na]+	276.063118	164.3
[M-H]-	252.066624	161.4
[M+NH4]+	271.107723	169.2
[M+K]+	292.037058	161.5
[M+H-H2O]+	236.071160	145.0
[M+HCOO]-	298.072101	176.0
[M+CH3COO]-	312.087751	167.2
[M+Na-2H]-	274.048566	162.9
[M]+	253.07335142	157.6
[M]-	253.07444858	157.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.