CID 76726

5,6-diaminouracil

Structural Information

Molecular Formula

C₄H₆N₄O₂

SMILES

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

InChI

InChI=1S/C4H6N4O2/c5-1-2(6)7-4(10)8-3(1)9/h5H2,(H4,6,7,8,9,10)

InChIKey

BBTNLADSUVOPPN-UHFFFAOYSA-N

Compound name

5,6-diamino-1H-pyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 5506
Patents: 142.04907 Da
Monoisotopic Mass: -1.9
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]+	143.05635	124.3
[M+Na]+	165.03829	134.7
[M+NH4]+	160.08289	129.8
[M+K]+	181.01223	131.8
[M-H]-	141.04179	123.8
[M+Na-2H]-	163.02374	128.6
[M]+	142.04852	125.1
[M]-	142.04962	125.1

Literature stripe

literature stripe

Patent stripe

patents stripe