CID 135460298

66680-03-3

Structural Information

Molecular Formula

C₁₂H₁₂N₄O₂

SMILES

CC1=CC(=O)NC(=N1)N/N=C/C2=CC=CC=C2O

InChI

InChI=1S/C12H12N4O2/c1-8-6-11(18)15-12(14-8)16-13-7-9-4-2-3-5-10(9)17/h2-7,17H,1H3,(H2,14,15,16,18)/b13-7+

InChIKey

XVDNTAIBZHGIAL-NTUHNPAUSA-N

Compound name

2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 244.09602 Da
Monoisotopic Mass: 0.8
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]+	245.10330	153.8
[M+Na]+	267.08524	166.8
[M+NH4]+	262.12984	160.0
[M+K]+	283.05918	160.6
[M-H]-	243.08874	156.9
[M+Na-2H]-	265.07069	162.0
[M]+	244.09547	156.2
[M]-	244.09657	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe