CID 451395

D4etu

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)CO
InChI
InChI=1S/C11H14N2O4/c1-2-7-5-13(11(16)12-10(7)15)9-4-3-8(6-14)17-9/h3-5,8-9,14H,2,6H2,1H3,(H,12,15,16)/t8-,9+/m0/s1
InChIKey
WQGMBIROMCAHKJ-DTWKUNHWSA-N
Compound name
5-ethyl-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

238.09535 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 149.9
[M+Na]+ 261.08457 159.9
[M-H]- 237.08807 153.0
[M+NH4]+ 256.12917 164.5
[M+K]+ 277.05851 156.9
[M+H-H2O]+ 221.09261 142.8
[M+HCOO]- 283.09355 169.2
[M+CH3COO]- 297.10920 185.4
[M+Na-2H]- 259.07002 152.9
[M]+ 238.09480 151.1
[M]- 238.09590 151.1
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.