CID 492044

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

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CN1C(=CC(=O)N(C1=O)C)CC2(CCCO2)C3=CC=CC=C3
InChI
InChI=1S/C17H20N2O3/c1-18-14(11-15(20)19(2)16(18)21)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
PHPBICGTYLAWNJ-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-[(2-phenyloxolan-2-yl)methyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.1474 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 167.5
[M+Na]+ 323.13662 177.2
[M-H]- 299.14012 176.0
[M+NH4]+ 318.18122 182.4
[M+K]+ 339.11056 173.9
[M+H-H2O]+ 283.14466 158.5
[M+HCOO]- 345.14560 187.6
[M+CH3COO]- 359.16125 201.8
[M+Na-2H]- 321.12207 170.5
[M]+ 300.14685 169.3
[M]- 300.14795 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.