CID 5276275

Schembl9739489

Structural Information

Molecular Formula

C₁₄H₁₈N₂O₂

SMILES

CN1C2=CC=CC=C2C(=O)C=C1OCCN(C)C

InChI

InChI=1S/C14H18N2O2/c1-15(2)8-9-18-14-10-13(17)11-6-4-5-7-12(11)16(14)3/h4-7,10H,8-9H2,1-3H3

InChIKey

YIGYKMVZDDRQMZ-UHFFFAOYSA-N

Compound name

2-[2-(dimethylamino)ethoxy]-1-methylquinolin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 246.13683 Da
Monoisotopic Mass: 1.9
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]+	247.144106	154.8
[M+Na]+	269.126048	163.7
[M-H]-	245.129554	159.7
[M+NH4]+	264.170653	172.8
[M+K]+	285.099988	161.5
[M+H-H2O]+	229.134090	147.0
[M+HCOO]-	291.135031	178.4
[M+CH3COO]-	305.150681	201.5
[M+Na-2H]-	267.111496	161.2
[M]+	246.13628142	159.6
[M]-	246.13737858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe