CID 129741693

1388050-64-3

Structural Information

Molecular Formula

C₆H₄N₄O₃

SMILES

C1=C(C=NC2=C1NC(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C6H4N4O3/c11-6-8-4-1-3(10(12)13)2-7-5(4)9-6/h1-2H,(H2,7,8,9,11)

InChIKey

NXRRVTZDFUETHB-UHFFFAOYSA-N

Compound name

6-nitro-1,3-dihydroimidazo[4,5-b]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 29
Patents: 180.02834 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]+	181.03562	129.5
[M+Na]+	203.01756	142.8
[M+NH4]+	198.06216	135.9
[M+K]+	218.99150	142.9
[M-H]-	179.02106	129.6
[M+Na-2H]-	201.00301	134.7
[M]+	180.02779	131.0
[M]-	180.02889	131.0

Literature stripe

literature stripe

Patent stripe

patents stripe