CID 27537

15911-15-6

Structural Information

Molecular Formula

C₁₃H₁₁N₃O₂

SMILES

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

InChI

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

InChIKey

YNMXHASRQBEXMM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 0
Patents: 241.08513 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]+	242.092406	151.7
[M+Na]+	264.074348	165.3
[M-H]-	240.077854	157.7
[M+NH4]+	259.118953	167.4
[M+K]+	280.048288	161.6
[M+H-H2O]+	224.082390	143.0
[M+HCOO]-	286.083331	174.0
[M+CH3COO]-	300.098981	165.8
[M+Na-2H]-	262.059796	158.8
[M]+	241.08458142	157.2
[M]-	241.08567858	157.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.