CID 74335

1698-62-0

Structural Information

Molecular Formula

C₁₁H₁₀ClN₃O

SMILES

CNC1=C(C(=O)N(N=C1)C2=CC=CC=C2)Cl

InChI

InChI=1S/C11H10ClN3O/c1-13-9-7-14-15(11(16)10(9)12)8-5-3-2-4-6-8/h2-7,13H,1H3

InChIKey

PVAJKGQADFDSFN-UHFFFAOYSA-N

Compound name

4-chloro-5-(methylamino)-2-phenylpyridazin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 1
Patents: 235.05124 Da
Monoisotopic Mass: 1.4
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]+	236.05852	148.5
[M+Na]+	258.04046	164.8
[M+NH4]+	253.08506	156.8
[M+K]+	274.01440	156.8
[M-H]-	234.04396	152.6
[M+Na-2H]-	256.02591	158.5
[M]+	235.05069	152.3
[M]-	235.05179	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe