CID 15957883

3-[(3,5-dimethylphenyl)methyl]-1-[(2r)-tetrahydrofuran-2-yl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C17H20N2O3
SMILES
CC1=CC(=CC(=C1)CN2C(=O)C=CN(C2=O)[C@H]3CCCO3)C
InChI
InChI=1S/C17H20N2O3/c1-12-8-13(2)10-14(9-12)11-19-15(20)5-6-18(17(19)21)16-4-3-7-22-16/h5-6,8-10,16H,3-4,7,11H2,1-2H3/t16-/m1/s1
InChIKey
SQORZISMRTXUAV-MRXNPFEDSA-N
Compound name
3-[(3,5-dimethylphenyl)methyl]-1-[(2R)-oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.1474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 169.0
[M+Na]+ 323.13662 178.6
[M-H]- 299.14012 177.5
[M+NH4]+ 318.18122 182.2
[M+K]+ 339.11056 175.0
[M+H-H2O]+ 283.14466 159.9
[M+HCOO]- 345.14560 189.0
[M+CH3COO]- 359.16125 203.6
[M+Na-2H]- 321.12207 170.0
[M]+ 300.14685 170.9
[M]- 300.14795 170.9
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.