CID 284638

3h-pyrano(3,2-f)quinolin-3-one

Structural Information

Molecular Formula

C₁₂H₇NO₂

SMILES

C1=CC2=C(C=CC3=C2C=CC(=O)O3)N=C1

InChI

InChI=1S/C12H7NO2/c14-12-6-3-9-8-2-1-7-13-10(8)4-5-11(9)15-12/h1-7H

InChIKey

ROVZMKXAGDXPJB-UHFFFAOYSA-N

Compound name

pyrano[3,2-f]quinolin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 197.04768 Da
Monoisotopic Mass: 2.2
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]+	198.05496	135.6
[M+Na]+	220.03690	148.0
[M-H]-	196.04040	141.5
[M+NH4]+	215.08150	154.7
[M+K]+	236.01084	144.9
[M+H-H2O]+	180.04494	128.3
[M+HCOO]-	242.04588	158.7
[M+CH3COO]-	256.06153	150.6
[M+Na-2H]-	218.02235	149.0
[M]+	197.04713	139.6
[M]-	197.04823	139.6

Literature stripe

literature stripe

Patent stripe

patents stripe