CID 5743371

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

Structural Information

Molecular Formula
C4H5N3O2
SMILES
C1=CN(C(=O)NC1=O)N
InChI
InChI=1S/C4H5N3O2/c5-7-2-1-3(8)6-4(7)9/h1-2H,5H2,(H,6,8,9)
InChIKey
IILMINFWXULDNN-UHFFFAOYSA-N
Compound name
1-aminopyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1066
Patents

127.03818 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.04546 120.0
[M+Na]+ 150.02740 130.7
[M-H]- 126.03090 120.2
[M+NH4]+ 145.07200 138.6
[M+K]+ 166.00134 128.1
[M+H-H2O]+ 110.03544 113.6
[M+HCOO]- 172.03638 143.3
[M+CH3COO]- 186.05203 168.0
[M+Na-2H]- 148.01285 128.2
[M]+ 127.03763 117.7
[M]- 127.03873 117.7
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