CID 36192

1,3-dimethyl-4-methoxycarbostyril

Structural Information

Molecular Formula

C₁₂H₁₃NO₂

SMILES

CC1=C(C2=CC=CC=C2N(C1=O)C)OC

InChI

InChI=1S/C12H13NO2/c1-8-11(15-3)9-6-4-5-7-10(9)13(2)12(8)14/h4-7H,1-3H3

InChIKey

KGJOYNVCJDCRTA-UHFFFAOYSA-N

Compound name

4-methoxy-1,3-dimethylquinolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 203.09464 Da
Monoisotopic Mass: 1.6
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]+	204.10192	140.9
[M+Na]+	226.08386	152.5
[M-H]-	202.08736	145.3
[M+NH4]+	221.12846	160.8
[M+K]+	242.05780	149.5
[M+H-H2O]+	186.09190	134.4
[M+HCOO]-	248.09284	163.7
[M+CH3COO]-	262.10849	188.4
[M+Na-2H]-	224.06931	148.1
[M]+	203.09409	145.0
[M]-	203.09519	145.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe