CID 492061

Chembl417579

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CC1(C(O1)C2=CC(=O)N(C(=O)N2C)C)C3=CC=CC=C3
InChI
InChI=1S/C15H16N2O3/c1-15(10-7-5-4-6-8-10)13(20-15)11-9-12(18)17(3)14(19)16(11)2/h4-9,13H,1-3H3
InChIKey
FPAOPBWIOBHKCD-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-(3-methyl-3-phenyloxiran-2-yl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

272.1161 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 166.2
[M+Na]+ 295.10532 179.9
[M-H]- 271.10882 176.1
[M+NH4]+ 290.14992 176.5
[M+K]+ 311.07926 176.8
[M+H-H2O]+ 255.11336 157.7
[M+HCOO]- 317.11430 187.6
[M+CH3COO]- 331.12995 201.7
[M+Na-2H]- 293.09077 171.5
[M]+ 272.11555 173.3
[M]- 272.11665 173.3
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.