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

literature stripe

Patent stripe

patents stripe