CID 5275234

2,4(1h,3h)-pyrimidinedione, 3-(hexahydropyrrolo[1,2-b]isoxazol-2-yl)-5-methyl-

Structural Information

Molecular Formula
C11H15N3O3
SMILES
CC1=CNC(=O)N(C1=O)C2CC3CCCN3O2
InChI
InChI=1S/C11H15N3O3/c1-7-6-12-11(16)14(10(7)15)9-5-8-3-2-4-13(8)17-9/h6,8-9H,2-5H2,1H3,(H,12,16)
InChIKey
QOEURWFUAABYBX-UHFFFAOYSA-N
Compound name
3-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)-5-methyl-1H-pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.11134 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.11862 151.3
[M+Na]+ 260.10056 160.9
[M-H]- 236.10406 154.9
[M+NH4]+ 255.14516 167.7
[M+K]+ 276.07450 158.2
[M+H-H2O]+ 220.10860 144.0
[M+HCOO]- 282.10954 168.2
[M+CH3COO]- 296.12519 163.4
[M+Na-2H]- 258.08601 152.3
[M]+ 237.11079 150.2
[M]- 237.11189 150.2
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

No patent data available for this compound.