CID 16090637

2-methyl-3-(propan-2-yl)-1,4-dihydroquinolin-4-one

Structural Information

Molecular Formula

C₁₃H₁₅NO

SMILES

CC1=C(C(=O)C2=CC=CC=C2N1)C(C)C

InChI

InChI=1S/C13H15NO/c1-8(2)12-9(3)14-11-7-5-4-6-10(11)13(12)15/h4-8H,1-3H3,(H,14,15)

InChIKey

AJDNYHSBEVKAHY-UHFFFAOYSA-N

Compound name

2-methyl-3-propan-2-yl-1H-quinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 201.11537 Da
Monoisotopic Mass: 3.1
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]+	202.122646	143.3
[M+Na]+	224.104588	152.9
[M-H]-	200.108094	145.8
[M+NH4]+	219.149193	162.2
[M+K]+	240.078528	148.6
[M+H-H2O]+	184.112630	137.1
[M+HCOO]-	246.113571	163.0
[M+CH3COO]-	260.129221	186.4
[M+Na-2H]-	222.090036	148.9
[M]+	201.11482142	143.4
[M]-	201.11591858	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe