CID 454837

Chembl177192

Structural Information

Molecular Formula

C₁₇H₁₉N₃O₂

SMILES

CC1=C(C=C(C(=O)N1)CCC2=NC3=CC=CC=C3O2)N(C)C

InChI

InChI=1S/C17H19N3O2/c1-11-14(20(2)3)10-12(17(21)18-11)8-9-16-19-13-6-4-5-7-15(13)22-16/h4-7,10H,8-9H2,1-3H3,(H,18,21)

InChIKey

GPSNMPYGCMJZDS-UHFFFAOYSA-N

Compound name

3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-(dimethylamino)-6-methyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 297.14774 Da
Monoisotopic Mass: 2.5
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]+	298.155016	170.0
[M+Na]+	320.136958	180.4
[M-H]-	296.140464	176.8
[M+NH4]+	315.181563	184.3
[M+K]+	336.110898	176.6
[M+H-H2O]+	280.145000	161.1
[M+HCOO]-	342.145941	192.3
[M+CH3COO]-	356.161591	182.3
[M+Na-2H]-	318.122406	174.6
[M]+	297.14719142	175.1
[M]-	297.14828858	175.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.