CID 57665765

1497045-54-1

Structural Information

Molecular Formula

C₁₂H₁₀N₄O

SMILES

CN1C2=CC=CC=C2N=C1C3=NNC(=O)C=C3

InChI

InChI=1S/C12H10N4O/c1-16-10-5-3-2-4-8(10)13-12(16)9-6-7-11(17)15-14-9/h2-7H,1H3,(H,15,17)

InChIKey

ODPWGMORGAUJRP-UHFFFAOYSA-N

Compound name

3-(1-methylbenzimidazol-2-yl)-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.08546 Da
Monoisotopic Mass: 1.1
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]+	227.09274	149.0
[M+Na]+	249.07468	161.6
[M-H]-	225.07818	151.4
[M+NH4]+	244.11928	164.2
[M+K]+	265.04862	155.4
[M+H-H2O]+	209.08272	139.8
[M+HCOO]-	271.08366	169.5
[M+CH3COO]-	285.09931	161.7
[M+Na-2H]-	247.06013	156.5
[M]+	226.08491	150.4
[M]-	226.08601	150.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe