CID 122328

Fapygua

Structural Information

Molecular Formula

C₅H₇N₅O₂

SMILES

C(=O)NC1C(=NC(=NC1=O)N)N

InChI

InChI=1S/C5H7N5O2/c6-3-2(8-1-11)4(12)10-5(7)9-3/h1-2H,(H,8,11)(H4,6,7,9,10,12)

InChIKey

GIMRVVLNBSNCLO-UHFFFAOYSA-N

Compound name

N-(2,4-diamino-6-oxo-5H-pyrimidin-5-yl)formamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 65
References: 0
Patents: 169.05997 Da
Monoisotopic Mass: -2.4
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]+	170.067246	132.6
[M+Na]+	192.049188	141.4
[M-H]-	168.052694	133.5
[M+NH4]+	187.093793	149.3
[M+K]+	208.023128	139.3
[M+H-H2O]+	152.057230	125.1
[M+HCOO]-	214.058171	157.0
[M+CH3COO]-	228.073821	184.9
[M+Na-2H]-	190.034636	138.7
[M]+	169.05942142	129.0
[M]-	169.06051858	129.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.