CID 208748

32929-22-9

Structural Information

Molecular Formula

C₁₂H₁₃N₃O

SMILES

CN(C)C1=NN(C(=O)C=C1)C2=CC=CC=C2

InChI

InChI=1S/C12H13N3O/c1-14(2)11-8-9-12(16)15(13-11)10-6-4-3-5-7-10/h3-9H,1-2H3

InChIKey

OGGVYFZQKOAMSL-UHFFFAOYSA-N

Compound name

6-(dimethylamino)-2-phenylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 54
Patents: 215.10587 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]+	216.11315	146.1
[M+Na]+	238.09509	155.1
[M-H]-	214.09859	152.0
[M+NH4]+	233.13969	162.4
[M+K]+	254.06903	152.4
[M+H-H2O]+	198.10313	137.0
[M+HCOO]-	260.10407	170.5
[M+CH3COO]-	274.11972	193.2
[M+Na-2H]-	236.08054	153.7
[M]+	215.10532	147.5
[M]-	215.10642	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe