CID 443736

Chebi:31132

Structural Information

Molecular Formula

C₅H₆N₄O₅

SMILES

C1(=NC(=O)NC1(C(=O)O)O)NC(=O)N

InChI

InChI=1S/C5H6N4O5/c6-3(12)7-1-5(14,2(10)11)9-4(13)8-1/h14H,(H,10,11)(H4,6,7,8,9,12,13)

InChIKey

WHKYNCPIXMNTRQ-UHFFFAOYSA-N

Compound name

4-(carbamoylamino)-5-hydroxy-2-oxo-1H-imidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 56
Patents: 202.03381 Da
Monoisotopic Mass: -2.2
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]+	203.04109	137.0
[M+Na]+	225.02303	144.5
[M-H]-	201.02653	134.5
[M+NH4]+	220.06763	153.9
[M+K]+	240.99697	143.1
[M+H-H2O]+	185.03107	131.5
[M+HCOO]-	247.03201	156.0
[M+CH3COO]-	261.04766	178.4
[M+Na-2H]-	223.00848	140.2
[M]+	202.03326	132.3
[M]-	202.03436	132.3

Literature stripe

literature stripe

Patent stripe

patents stripe