CID 454404

143708-03-6

Structural Information

Molecular Formula

C₁₇H₁₉N₃O₂

SMILES

CCC1=C(NC(=O)C(=C1)NCC2=NC3=C(O2)C=C(C=C3)C)C

InChI

InChI=1S/C17H19N3O2/c1-4-12-8-14(17(21)19-11(12)3)18-9-16-20-13-6-5-10(2)7-15(13)22-16/h5-8,18H,4,9H2,1-3H3,(H,19,21)

InChIKey

MUPPXNKNEHWOEB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 297.14774 Da
Monoisotopic Mass: 2.9
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]+	298.155016	170.5
[M+Na]+	320.136958	181.7
[M-H]-	296.140464	176.3
[M+NH4]+	315.181563	184.5
[M+K]+	336.110898	176.5
[M+H-H2O]+	280.145000	162.0
[M+HCOO]-	342.145941	192.3
[M+CH3COO]-	356.161591	182.6
[M+Na-2H]-	318.122406	175.1
[M]+	297.14719142	174.8
[M]-	297.14828858	174.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.