CID 492050

Chembl342624

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CN1C(=O)C=C(N=C1OC)CC2(CCCO2)C3=CC=CC=C3
InChI
InChI=1S/C17H20N2O3/c1-19-15(20)11-14(18-16(19)21-2)12-17(9-6-10-22-17)13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10,12H2,1-2H3
InChIKey
UDYAOUFBALLFSP-UHFFFAOYSA-N
Compound name
2-methoxy-3-methyl-6-[(2-phenyloxolan-2-yl)methyl]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.1474 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 168.3
[M+Na]+ 323.13662 176.7
[M-H]- 299.14012 176.4
[M+NH4]+ 318.18122 182.9
[M+K]+ 339.11056 174.1
[M+H-H2O]+ 283.14466 159.0
[M+HCOO]- 345.14560 188.2
[M+CH3COO]- 359.16125 180.1
[M+Na-2H]- 321.12207 172.0
[M]+ 300.14685 170.4
[M]- 300.14795 170.4
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.