CID 33027

25506-00-7

Structural Information

Molecular Formula

C₁₃H₁₁N₃O₂

SMILES

CC1=C2C(=NN(C(=O)C2=NO1)C)C3=CC=CC=C3

InChI

InChI=1S/C13H11N3O2/c1-8-10-11(9-6-4-3-5-7-9)14-16(2)13(17)12(10)15-18-8/h3-7H,1-2H3

InChIKey

XJXJGEAQOLTDAY-UHFFFAOYSA-N

Compound name

3,6-dimethyl-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: 241.08513 Da
Monoisotopic Mass: 2.0
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]+	242.09241	151.1
[M+Na]+	264.07435	168.4
[M+NH4]+	259.11895	158.9
[M+K]+	280.04829	163.3
[M-H]-	240.07785	155.4
[M+Na-2H]-	262.05980	159.5
[M]+	241.08458	154.9
[M]-	241.08568	154.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.