CID 11616234

3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CCOCN1C=CC(=O)N(C1=O)CC2=CC(=CC(=C2)C)C
InChI
InChI=1S/C16H20N2O3/c1-4-21-11-17-6-5-15(19)18(16(17)20)10-14-8-12(2)7-13(3)9-14/h5-9H,4,10-11H2,1-3H3
InChIKey
BEFJZOWHEBJOMR-UHFFFAOYSA-N
Compound name
3-[(3,5-dimethylphenyl)methyl]-1-(ethoxymethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

288.1474 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.15468 165.6
[M+Na]+ 311.13662 176.3
[M-H]- 287.14012 170.5
[M+NH4]+ 306.18122 179.3
[M+K]+ 327.11056 172.1
[M+H-H2O]+ 271.14466 156.5
[M+HCOO]- 333.14560 187.5
[M+CH3COO]- 347.16125 203.9
[M+Na-2H]- 309.12207 169.0
[M]+ 288.14685 171.2
[M]- 288.14795 171.2
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.