CID 33026

Brn 1139896

Structural Information

Molecular Formula

C₁₇H₁₁N₃O₂

SMILES

C1=CC=C(C=C1)C2=NN(C(=O)C3=NOC=C23)C4=CC=CC=C4

InChI

InChI=1S/C17H11N3O2/c21-17-16-14(11-22-19-16)15(12-7-3-1-4-8-12)18-20(17)13-9-5-2-6-10-13/h1-11H

InChIKey

LBUYGKIHAVPWJS-UHFFFAOYSA-N

Compound name

4,6-diphenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.0851 Da
Monoisotopic Mass: 3.2
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]+	290.092376	164.4
[M+Na]+	312.074318	176.4
[M-H]-	288.077824	172.9
[M+NH4]+	307.118923	176.9
[M+K]+	328.048258	171.1
[M+H-H2O]+	272.082360	153.8
[M+HCOO]-	334.083301	186.3
[M+CH3COO]-	348.098951	177.1
[M+Na-2H]-	310.059766	172.1
[M]+	289.08455142	167.9
[M]-	289.08564858	167.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.