CID 65745

Imidazole-4,5-dicarboxamide

Structural Information

Molecular Formula

C₅H₆N₄O₂

SMILES

C1=NC(=C(N1)C(=O)N)C(=O)N

InChI

InChI=1S/C5H6N4O2/c6-4(10)2-3(5(7)11)9-1-8-2/h1H,(H2,6,10)(H2,7,11)(H,8,9)

InChIKey

NNWAARLSYSBVPB-UHFFFAOYSA-N

Compound name

1H-imidazole-4,5-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 553
Patents: 154.04907 Da
Monoisotopic Mass: -2.1
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]+	155.05635	129.9
[M+Na]+	177.03829	137.1
[M+NH4]+	172.08289	134.9
[M+K]+	193.01223	137.2
[M-H]-	153.04179	128.3
[M+Na-2H]-	175.02374	132.5
[M]+	154.04852	129.6
[M]-	154.04962	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe