CID 12240776

40995-47-9

Structural Information

Molecular Formula

C₁₁H₈N₄O

SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)NN=C3

InChI

InChI=1S/C11H8N4O/c16-11-9-6-13-15(10(9)7-12-14-11)8-4-2-1-3-5-8/h1-7H,(H,14,16)

InChIKey

ZSDCDEDITAIPBR-UHFFFAOYSA-N

Compound name

1-phenyl-5H-pyrazolo[4,5-d]pyridazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.06981 Da
Monoisotopic Mass: 1.0
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]+	213.077086	143.7
[M+Na]+	235.059028	155.8
[M-H]-	211.062534	145.9
[M+NH4]+	230.103633	159.2
[M+K]+	251.032968	149.9
[M+H-H2O]+	195.067070	134.5
[M+HCOO]-	257.068011	164.6
[M+CH3COO]-	271.083661	156.5
[M+Na-2H]-	233.044476	152.5
[M]+	212.06926142	144.4
[M]-	212.07035858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe