CID 220711

4430-77-7

Structural Information

Molecular Formula

C₇H₅N₃O₂

SMILES

C1=CC2=C(C(=O)NNC2=O)N=C1

InChI

InChI=1S/C7H5N3O2/c11-6-4-2-1-3-8-5(4)7(12)10-9-6/h1-3H,(H,9,11)(H,10,12)

InChIKey

DKOROYSYZIOJRG-UHFFFAOYSA-N

Compound name

6,7-dihydropyrido[2,3-d]pyridazine-5,8-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 118
Patents: 163.03818 Da
Monoisotopic Mass: -0.3
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]+	164.04546	130.1
[M+Na]+	186.02740	144.5
[M+NH4]+	181.07200	137.0
[M+K]+	202.00134	138.9
[M-H]-	162.03090	129.7
[M+Na-2H]-	184.01285	136.6
[M]+	163.03763	131.8
[M]-	163.03873	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe