CID 454409

143708-05-8

Structural Information

Molecular Formula

C₁₆H₁₆FN₃O₂

SMILES

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

InChI

InChI=1S/C16H16FN3O2/c1-3-10-6-13(16(21)19-9(10)2)18-8-15-20-12-7-11(17)4-5-14(12)22-15/h4-7,18H,3,8H2,1-2H3,(H,19,21)

InChIKey

SOGQCRCDBFCYGD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 301.12265 Da
Monoisotopic Mass: 2.6
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]+	302.129926	168.6
[M+Na]+	324.111868	180.3
[M-H]-	300.115374	173.1
[M+NH4]+	319.156473	182.3
[M+K]+	340.085808	174.8
[M+H-H2O]+	284.119910	159.3
[M+HCOO]-	346.120851	189.7
[M+CH3COO]-	360.136501	180.6
[M+Na-2H]-	322.097316	173.1
[M]+	301.12210142	171.6
[M]-	301.12319858	171.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.