CID 5278576

Schembl10338618

Structural Information

Molecular Formula

C₈H₁₀N₄O₄

SMILES

C1=NC2=C(N1COCCO)N=C(OC2=O)N

InChI

InChI=1S/C8H10N4O4/c9-8-11-6-5(7(14)16-8)10-3-12(6)4-15-2-1-13/h3,13H,1-2,4H2,(H2,9,11)

InChIKey

SHCFFZVTJMKOGB-UHFFFAOYSA-N

Compound name

5-amino-3-(2-hydroxyethoxymethyl)imidazo[4,5-d][1,3]oxazin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.0702 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]+	227.077476	144.0
[M+Na]+	249.059418	155.6
[M-H]-	225.062924	144.8
[M+NH4]+	244.104023	158.9
[M+K]+	265.033358	153.8
[M+H-H2O]+	209.067460	136.2
[M+HCOO]-	271.068401	165.9
[M+CH3COO]-	285.084051	186.9
[M+Na-2H]-	247.044866	151.7
[M]+	226.06965142	149.3
[M]-	226.07074858	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe