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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07748 144.0
[M+Na]+ 249.05942 155.6
[M-H]- 225.06292 144.8
[M+NH4]+ 244.10402 158.9
[M+K]+ 265.03336 153.8
[M+H-H2O]+ 209.06746 136.2
[M+HCOO]- 271.06840 165.9
[M+CH3COO]- 285.08405 186.9
[M+Na-2H]- 247.04487 151.7
[M]+ 226.06965 149.3
[M]- 226.07075 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.