CID 82070

7597-60-6

Structural Information

Molecular Formula

C₇H₁₀N₄O₃

SMILES

CN1C(=C(C(=O)N(C1=O)C)NC=O)N

InChI

InChI=1S/C7H10N4O3/c1-10-5(8)4(9-3-12)6(13)11(2)7(10)14/h3H,8H2,1-2H3,(H,9,12)

InChIKey

ZNDGAXCBZGSJGU-UHFFFAOYSA-N

Compound name

N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 198.07529 Da
Monoisotopic Mass: -0.6
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]+	199.08257	139.9
[M+Na]+	221.06451	151.4
[M+NH4]+	216.10911	144.9
[M+K]+	237.03845	147.7
[M-H]-	197.06801	139.9
[M+Na-2H]-	219.04996	144.1
[M]+	198.07474	141.1
[M]-	198.07584	141.1

Literature stripe

literature stripe

Patent stripe

patents stripe