CID 853899

6-amino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C6H9N3O2
SMILES
CCN1C(=CC(=O)NC1=O)N
InChI
InChI=1S/C6H9N3O2/c1-2-9-4(7)3-5(10)8-6(9)11/h3H,2,7H2,1H3,(H,8,10,11)
InChIKey
QHEMDIZENXAVRQ-UHFFFAOYSA-N
Compound name
6-amino-1-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

132
Patents

155.06947 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.076746 129.1
[M+Na]+ 178.058688 140.0
[M-H]- 154.062194 129.4
[M+NH4]+ 173.103293 147.0
[M+K]+ 194.032628 136.9
[M+H-H2O]+ 138.066730 122.6
[M+HCOO]- 200.067671 151.8
[M+CH3COO]- 214.083321 175.3
[M+Na-2H]- 176.044136 135.5
[M]+ 155.06892142 128.0
[M]- 155.07001858 128.0
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