CID 451452

5-et-ddu

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C11H16N2O4/c1-2-7-5-13(11(16)12-10(7)15)9-4-3-8(6-14)17-9/h5,8-9,14H,2-4,6H2,1H3,(H,12,15,16)/t8-,9+/m0/s1
InChIKey
MCKZMXMWYDOXBL-DTWKUNHWSA-N
Compound name
5-ethyl-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

28
Patents

240.11101 Da
Monoisotopic Mass

-1.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.