CID 492038

Chembl297729

Structural Information

Molecular Formula
C13H20N2O3
SMILES
CC(C)(C)C1(CO1)CC2=CC(=O)N(C(=O)N2C)C
InChI
InChI=1S/C13H20N2O3/c1-12(2,3)13(8-18-13)7-9-6-10(16)15(5)11(17)14(9)4/h6H,7-8H2,1-5H3
InChIKey
FXWXZANKGSTTCK-UHFFFAOYSA-N
Compound name
6-[(2-tert-butyloxiran-2-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

252.1474 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15468 162.7
[M+Na]+ 275.13662 175.5
[M-H]- 251.14012 169.5
[M+NH4]+ 270.18122 174.3
[M+K]+ 291.11056 173.5
[M+H-H2O]+ 235.14466 156.1
[M+HCOO]- 297.14560 181.7
[M+CH3COO]- 311.16125 198.5
[M+Na-2H]- 273.12207 168.5
[M]+ 252.14685 170.9
[M]- 252.14795 170.9
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.