CID 475256

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

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2CCO[C@@H]2CCO
InChI
InChI=1S/C11H16N2O4/c1-7-6-13(11(16)12-10(7)15)8-3-5-17-9(8)2-4-14/h6,8-9,14H,2-5H2,1H3,(H,12,15,16)/t8-,9-/m1/s1
InChIKey
OEZFODZGFBVXQM-RKDXNWHRSA-N
Compound name
1-[(2R,3R)-2-(2-hydroxyethyl)oxolan-3-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

240.11101 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11829 151.5
[M+Na]+ 263.10023 160.4
[M-H]- 239.10373 154.2
[M+NH4]+ 258.14483 165.9
[M+K]+ 279.07417 157.7
[M+H-H2O]+ 223.10827 144.4
[M+HCOO]- 285.10921 169.3
[M+CH3COO]- 299.12486 185.7
[M+Na-2H]- 261.08568 153.5
[M]+ 240.11046 151.3
[M]- 240.11156 151.3
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.