CID 492051

Chembl139761

Structural Information

Molecular Formula
C19H24N2O3
SMILES
CCCOC1=NC(=CC(=O)N1C)CC2(CCCO2)C3=CC=CC=C3
InChI
InChI=1S/C19H24N2O3/c1-3-11-23-18-20-16(13-17(22)21(18)2)14-19(10-7-12-24-19)15-8-5-4-6-9-15/h4-6,8-9,13H,3,7,10-12,14H2,1-2H3
InChIKey
OWOBTKXPXHIKGY-UHFFFAOYSA-N
Compound name
3-methyl-6-[(2-phenyloxolan-2-yl)methyl]-2-propoxypyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.17868 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.18596 177.3
[M+Na]+ 351.16790 184.8
[M-H]- 327.17140 185.0
[M+NH4]+ 346.21250 190.7
[M+K]+ 367.14184 181.7
[M+H-H2O]+ 311.17594 167.5
[M+HCOO]- 373.17688 196.5
[M+CH3COO]- 387.19253 207.1
[M+Na-2H]- 349.15335 179.9
[M]+ 328.17813 180.0
[M]- 328.17923 180.0
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.