CID 492040

1,3-dimethyl-6-(tetrahydrofuran-2-ylmethyl)pyrimidine-2,4-dione

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CN1C(=CC(=O)N(C1=O)C)CC2CCCO2
InChI
InChI=1S/C11H16N2O3/c1-12-8(6-9-4-3-5-16-9)7-10(14)13(2)11(12)15/h7,9H,3-6H2,1-2H3
InChIKey
WQWZPDKBPRGLRV-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-(oxolan-2-ylmethyl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

224.11609 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 147.0
[M+Na]+ 247.10531 157.0
[M-H]- 223.10881 152.4
[M+NH4]+ 242.14991 163.6
[M+K]+ 263.07925 155.4
[M+H-H2O]+ 207.11335 139.6
[M+HCOO]- 269.11429 167.7
[M+CH3COO]- 283.12994 188.3
[M+Na-2H]- 245.09076 149.9
[M]+ 224.11554 149.0
[M]- 224.11664 149.0
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.