CID 74947

2067-84-7

Structural Information

Molecular Formula

C₇H₅N₃O₂

SMILES

C1=CC2=C(NC(=O)C(=O)N2)N=C1

InChI

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

InChIKey

ZTCJWOFMAWQWRD-UHFFFAOYSA-N

Compound name

1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 130
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]+	164.045456	129.8
[M+Na]+	186.027398	141.2
[M-H]-	162.030904	128.5
[M+NH4]+	181.072003	146.4
[M+K]+	202.001338	136.3
[M+H-H2O]+	146.035440	122.7
[M+HCOO]-	208.036381	148.7
[M+CH3COO]-	222.052031	142.7
[M+Na-2H]-	184.012846	140.0
[M]+	163.03763142	127.9
[M]-	163.03872858	127.9

Literature stripe

literature stripe

Patent stripe

patents stripe