CID 492062

1,3-dimethyl-6-(3-phenyloxiran-2-yl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C14H14N2O3
SMILES
CN1C(=CC(=O)N(C1=O)C)C2C(O2)C3=CC=CC=C3
InChI
InChI=1S/C14H14N2O3/c1-15-10(8-11(17)16(2)14(15)18)13-12(19-13)9-6-4-3-5-7-9/h3-8,12-13H,1-2H3
InChIKey
OYFVRZBTRHMTPE-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-(3-phenyloxiran-2-yl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

258.10043 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10771 162.8
[M+Na]+ 281.08965 176.3
[M-H]- 257.09315 172.5
[M+NH4]+ 276.13425 171.7
[M+K]+ 297.06359 172.1
[M+H-H2O]+ 241.09769 153.7
[M+HCOO]- 303.09863 184.8
[M+CH3COO]- 317.11428 199.3
[M+Na-2H]- 279.07510 167.4
[M]+ 258.09988 169.1
[M]- 258.10098 169.1
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.