CID 492046

Chembl431346

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CCCOC1=NC(=CC(=O)N1C)CC2(CO2)C3=CC=CC=C3
InChI
InChI=1S/C17H20N2O3/c1-3-9-21-16-18-14(10-15(20)19(16)2)11-17(12-22-17)13-7-5-4-6-8-13/h4-8,10H,3,9,11-12H2,1-2H3
InChIKey
XEKMXKGNTUQKHD-UHFFFAOYSA-N
Compound name
3-methyl-6-[(2-phenyloxiran-2-yl)methyl]-2-propoxypyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

300.1474 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 175.5
[M+Na]+ 323.13662 186.3
[M-H]- 299.14012 184.2
[M+NH4]+ 318.18122 184.1
[M+K]+ 339.11056 183.5
[M+H-H2O]+ 283.14466 166.0
[M+HCOO]- 345.14560 196.2
[M+CH3COO]- 359.16125 205.6
[M+Na-2H]- 321.12207 181.1
[M]+ 300.14685 183.0
[M]- 300.14795 183.0
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.