CID 453441

135525-74-5

Structural Information

Molecular Formula

C₁₉H₂₀N₂O

SMILES

CCC1=C(NC(=O)C(=C1)NCC2=CC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C19H20N2O/c1-3-15-11-18(19(22)21-13(15)2)20-12-14-8-9-16-6-4-5-7-17(16)10-14/h4-11,20H,3,12H2,1-2H3,(H,21,22)

InChIKey

PYCFOMVUDZAQSS-UHFFFAOYSA-N

Compound name

5-ethyl-6-methyl-3-(naphthalen-2-ylmethylamino)-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 9
Patents: 292.15756 Da
Monoisotopic Mass: 3.9
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]+	293.16484	169.4
[M+Na]+	315.14678	177.9
[M-H]-	291.15028	174.6
[M+NH4]+	310.19138	183.9
[M+K]+	331.12072	171.0
[M+H-H2O]+	275.15482	160.6
[M+HCOO]-	337.15576	190.4
[M+CH3COO]-	351.17141	180.4
[M+Na-2H]-	313.13223	175.1
[M]+	292.15701	169.2
[M]-	292.15811	169.2

Literature stripe

literature stripe

Patent stripe

patents stripe