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	129.8
[M+Na]+	186.02740	141.2
[M-H]-	162.03090	128.5
[M+NH4]+	181.07200	146.4
[M+K]+	202.00134	136.3
[M+H-H2O]+	146.03544	122.7
[M+HCOO]-	208.03638	148.7
[M+CH3COO]-	222.05203	142.7
[M+Na-2H]-	184.01285	140.0
[M]+	163.03763	127.9
[M]-	163.03873	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe