CID 2733981

40769-69-5

Structural Information

Molecular Formula

C₄H₆N₄O₂

SMILES

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

InChI

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

InChIKey

HWSJQFCTYLBBOF-UHFFFAOYSA-N

Compound name

2,5-diamino-4-hydroxy-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 635
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	126.2
[M+Na]+	165.03829	136.3
[M-H]-	141.04179	124.9
[M+NH4]+	160.08289	143.2
[M+K]+	181.01223	133.0
[M+H-H2O]+	125.04633	119.8
[M+HCOO]-	187.04727	148.1
[M+CH3COO]-	201.06292	172.4
[M+Na-2H]-	163.02374	132.3
[M]+	142.04852	121.4
[M]-	142.04962	121.4

Literature stripe

literature stripe

Patent stripe

patents stripe