CID 135400981

60986-58-5

Structural Information

Molecular Formula

C₁₉H₁₆N₂O₂

SMILES

CN1C(=CC(=C(C1=O)C(=N)C2=CC=CC=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C19H16N2O2/c1-21-15(13-8-4-2-5-9-13)12-16(22)17(19(21)23)18(20)14-10-6-3-7-11-14/h2-12,20,22H,1H3

InChIKey

WZKXUAOTZXJBRD-UHFFFAOYSA-N

Compound name

3-(benzenecarboximidoyl)-4-hydroxy-1-methyl-6-phenylpyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 78
Patents: 304.1212 Da
Monoisotopic Mass: 3.0
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]+	305.12848	170.8
[M+Na]+	327.11042	179.0
[M-H]-	303.11392	178.6
[M+NH4]+	322.15502	183.1
[M+K]+	343.08436	172.7
[M+H-H2O]+	287.11846	161.3
[M+HCOO]-	349.11940	192.6
[M+CH3COO]-	363.13505	181.9
[M+Na-2H]-	325.09587	174.6
[M]+	304.12065	169.3
[M]-	304.12175	169.3

Literature stripe

literature stripe

Patent stripe

patents stripe