CID 12316099

24737-91-5

Structural Information

Molecular Formula

C₁₄H₁₀N₂O

SMILES

C1=CC=C2C=C(C=CC2=C1)C3=NNC(=O)C=C3

InChI

InChI=1S/C14H10N2O/c17-14-8-7-13(15-16-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H,16,17)

InChIKey

WGLIXRXOERJHDG-UHFFFAOYSA-N

Compound name

3-naphthalen-2-yl-1H-pyridazin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 222.07932 Da
Monoisotopic Mass: 2.5
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]+	223.08660	147.4
[M+Na]+	245.06854	157.3
[M-H]-	221.07204	151.4
[M+NH4]+	240.11314	163.2
[M+K]+	261.04248	151.1
[M+H-H2O]+	205.07658	138.7
[M+HCOO]-	267.07752	167.8
[M+CH3COO]-	281.09317	159.8
[M+Na-2H]-	243.05399	156.9
[M]+	222.07877	145.8
[M]-	222.07987	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe