CID 492049

Chembl344143

Structural Information

Molecular Formula
C15H16N2O3
SMILES
CN1C(=O)C=C(N=C1OC)CC2(CO2)C3=CC=CC=C3
InChI
InChI=1S/C15H16N2O3/c1-17-13(18)8-12(16-14(17)19-2)9-15(10-20-15)11-6-4-3-5-7-11/h3-8H,9-10H2,1-2H3
InChIKey
YLTYYRVQYFOZMI-UHFFFAOYSA-N
Compound name
2-methoxy-3-methyl-6-[(2-phenyloxiran-2-yl)methyl]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.1161 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.12338 167.2
[M+Na]+ 295.10532 178.9
[M-H]- 271.10882 176.2
[M+NH4]+ 290.14992 176.9
[M+K]+ 311.07926 176.5
[M+H-H2O]+ 255.11336 158.1
[M+HCOO]- 317.11430 188.5
[M+CH3COO]- 331.12995 200.0
[M+Na-2H]- 293.09077 173.8
[M]+ 272.11555 174.1
[M]- 272.11665 174.1
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.