CID 11593639

Chembl206306

Structural Information

Molecular Formula
C7H11N3O4
SMILES
C1=C(C(=O)NC(=O)N1COCCO)N
InChI
InChI=1S/C7H11N3O4/c8-5-3-10(4-14-2-1-11)7(13)9-6(5)12/h3,11H,1-2,4,8H2,(H,9,12,13)
InChIKey
LGPPGMZAZQJHMM-UHFFFAOYSA-N
Compound name
5-amino-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

201.07495 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08223 139.5
[M+Na]+ 224.06417 149.0
[M-H]- 200.06767 138.1
[M+NH4]+ 219.10877 154.4
[M+K]+ 240.03811 145.9
[M+H-H2O]+ 184.07221 132.4
[M+HCOO]- 246.07315 160.6
[M+CH3COO]- 260.08880 180.5
[M+Na-2H]- 222.04962 144.8
[M]+ 201.07440 139.6
[M]- 201.07550 139.6
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.