CID 27048

15112-97-7

Structural Information

Molecular Formula

C₁₃H₁₅NO

SMILES

CCC1=C(C(=O)N(C2=CC=CC=C21)C)C

InChI

InChI=1S/C13H15NO/c1-4-10-9(2)13(15)14(3)12-8-6-5-7-11(10)12/h5-8H,4H2,1-3H3

InChIKey

OCIMGLNGQNDLND-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 201.11537 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]+	202.122646	142.2
[M+Na]+	224.104588	153.5
[M-H]-	200.108094	146.4
[M+NH4]+	219.149193	162.3
[M+K]+	240.078528	149.6
[M+H-H2O]+	184.112630	135.8
[M+HCOO]-	246.113571	164.5
[M+CH3COO]-	260.129221	189.3
[M+Na-2H]-	222.090036	148.8
[M]+	201.11482142	145.2
[M]-	201.11591858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe