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

literature stripe

Patent stripe

patents stripe