CID 387522

Nsc681428

Structural Information

Molecular Formula

C₇H₇N₃O₅

SMILES

CC(=O)NC1=C(NC(=O)NC1=O)C(=O)O

InChI

InChI=1S/C7H7N3O5/c1-2(11)8-3-4(6(13)14)9-7(15)10-5(3)12/h1H3,(H,8,11)(H,13,14)(H2,9,10,12,15)

InChIKey

DMBDQASCLGLVDZ-UHFFFAOYSA-N

Compound name

5-acetamido-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 213.03857 Da
Monoisotopic Mass: -1.3
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]+	214.04585	140.2
[M+Na]+	236.02779	149.3
[M-H]-	212.03129	138.3
[M+NH4]+	231.07239	153.9
[M+K]+	252.00173	146.2
[M+H-H2O]+	196.03583	133.6
[M+HCOO]-	258.03677	159.0
[M+CH3COO]-	272.05242	180.8
[M+Na-2H]-	234.01324	143.8
[M]+	213.03802	138.2
[M]-	213.03912	138.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.