CID 96928

1702-98-3

Structural Information

Molecular Formula

C₁₁H₆ClN₃O

SMILES

C1=CC=C2C(=C1)C(=O)N3C(=N2)C=CC(=N3)Cl

InChI

InChI=1S/C11H6ClN3O/c12-9-5-6-10-13-8-4-2-1-3-7(8)11(16)15(10)14-9/h1-6H

InChIKey

HLPUHRDKWNPCCO-UHFFFAOYSA-N

Compound name

2-chloropyridazino[6,1-b]quinazolin-10-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 12
Patents: 231.01994 Da
Monoisotopic Mass: 1.7
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]+	232.02722	144.5
[M+Na]+	254.00916	158.6
[M-H]-	230.01266	146.7
[M+NH4]+	249.05376	161.7
[M+K]+	269.98310	152.1
[M+H-H2O]+	214.01720	136.1
[M+HCOO]-	276.01814	160.9
[M+CH3COO]-	290.03379	158.0
[M+Na-2H]-	251.99461	156.2
[M]+	231.01939	149.3
[M]-	231.02049	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe