CID 3008301

1-(furan-2-carbonyl)-5-methyl-2-phenyl-pyrazol-3-one

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₃

SMILES

CC1=CC(=O)N(N1C(=O)C2=CC=CO2)C3=CC=CC=C3

InChI

InChI=1S/C15H12N2O3/c1-11-10-14(18)17(12-6-3-2-4-7-12)16(11)15(19)13-8-5-9-20-13/h2-10H,1H3

InChIKey

VPSAMRWHNPLFOH-UHFFFAOYSA-N

Compound name

1-(furan-2-carbonyl)-5-methyl-2-phenylpyrazol-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 268.08478 Da
Monoisotopic Mass: 2.3
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]+	269.092056	156.7
[M+Na]+	291.073998	167.9
[M-H]-	267.077504	166.4
[M+NH4]+	286.118603	172.7
[M+K]+	307.047938	165.3
[M+H-H2O]+	251.082040	148.8
[M+HCOO]-	313.082981	181.6
[M+CH3COO]-	327.098631	170.8
[M+Na-2H]-	289.059446	159.3
[M]+	268.08423142	161.6
[M]-	268.08532858	161.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.