CID 33025

25505-98-0

Structural Information

Molecular Formula

C₁₂H₉N₃O₂

SMILES

CN1C(=O)C2=NOC=C2C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C12H9N3O2/c1-15-12(16)11-9(7-17-14-11)10(13-15)8-5-3-2-4-6-8/h2-7H,1H3

InChIKey

XTNGCLPUGZJGOH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 227.06947 Da
Monoisotopic Mass: 1.6
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]+	228.07675	146.2
[M+Na]+	250.05869	163.4
[M+NH4]+	245.10329	154.2
[M+K]+	266.03263	158.4
[M-H]-	226.06219	150.6
[M+Na-2H]-	248.04414	155.2
[M]+	227.06892	150.0
[M]-	227.07002	150.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.