CID 28482

17334-68-8

Structural Information

Molecular Formula

C₁₂H₉N₃O₂

SMILES

CC1=C2C(=NNC(=O)C2=NO1)C3=CC=CC=C3

InChI

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

InChIKey

YUQZAUWIHXYWKC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 40
Patents: 227.06947 Da
Monoisotopic Mass: 1.9
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	146.9
[M+Na]+	250.05869	163.6
[M+NH4]+	245.10329	154.5
[M+K]+	266.03263	158.8
[M-H]-	226.06219	150.7
[M+Na-2H]-	248.04414	155.2
[M]+	227.06892	150.4
[M]-	227.07002	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe