CID 454172

3med4t

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CC1=CN(C(=O)N(C1=O)C)[C@H]2C=C[C@H](O2)CO
InChI
InChI=1S/C11H14N2O4/c1-7-5-13(11(16)12(2)10(7)15)9-4-3-8(6-14)17-9/h3-5,8-9,14H,6H2,1-2H3/t8-,9+/m0/s1
InChIKey
WRYFBXCZZWIKJD-DTWKUNHWSA-N
Compound name
1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-3,5-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

238.09535 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.102626 148.8
[M+Na]+ 261.084568 160.2
[M-H]- 237.088074 153.7
[M+NH4]+ 256.129173 164.4
[M+K]+ 277.058508 158.1
[M+H-H2O]+ 221.092610 141.8
[M+HCOO]- 283.093551 169.6
[M+CH3COO]- 297.109201 189.0
[M+Na-2H]- 259.070016 151.7
[M]+ 238.09480142 152.4
[M]- 238.09589858 152.4
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