CID 486841

Chembl369460

Structural Information

Molecular Formula

C₁₆H₂₀N₂O

SMILES

CC1=CC(=CC(=C1)CC2=C(C(=O)NC=C2)N(C)C)C

InChI

InChI=1S/C16H20N2O/c1-11-7-12(2)9-13(8-11)10-14-5-6-17-16(19)15(14)18(3)4/h5-9H,10H2,1-4H3,(H,17,19)

InChIKey

KNNXWVZMDDYOHE-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 256.15756 Da
Monoisotopic Mass: 2.7
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]+	257.164836	159.8
[M+Na]+	279.146778	168.4
[M-H]-	255.150284	165.9
[M+NH4]+	274.191383	175.8
[M+K]+	295.120718	164.3
[M+H-H2O]+	239.154820	151.6
[M+HCOO]-	301.155761	182.6
[M+CH3COO]-	315.171411	202.3
[M+Na-2H]-	277.132226	163.2
[M]+	256.15701142	161.1
[M]-	256.15810858	161.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.