CID 492037

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

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CN1C(=CC(=O)N(C1=O)C)CC2(CO2)C3=CC=CC=C3
InChI
InChI=1S/C15H16N2O3/c1-16-12(8-13(18)17(2)14(16)19)9-15(10-20-15)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3
InChIKey
RAYTWDPYNPTHLI-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-[(2-phenyloxiran-2-yl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

272.1161 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 166.6
[M+Na]+ 295.105318 179.5
[M-H]- 271.108824 176.1
[M+NH4]+ 290.149923 176.6
[M+K]+ 311.079258 176.4
[M+H-H2O]+ 255.113360 157.9
[M+HCOO]- 317.114301 188.0
[M+CH3COO]- 331.129951 200.5
[M+Na-2H]- 293.090766 172.5
[M]+ 272.11555142 173.3
[M]- 272.11664858 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

patents stripe