CID 294628

Chembl27473

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](C2)O)CO
InChI
InChI=1S/C11H16N2O4/c1-6-4-13(11(17)12-10(6)16)8-2-7(5-14)9(15)3-8/h4,7-9,14-15H,2-3,5H2,1H3,(H,12,16,17)/t7-,8-,9+/m1/s1
InChIKey
ZOZRLTAJWLEGLG-HLTSFMKQSA-N
Compound name
1-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

4
Patents

240.11101 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.118286 151.8
[M+Na]+ 263.100228 161.0
[M-H]- 239.103734 152.8
[M+NH4]+ 258.144833 167.0
[M+K]+ 279.074168 156.6
[M+H-H2O]+ 223.108270 145.1
[M+HCOO]- 285.109211 169.0
[M+CH3COO]- 299.124861 184.6
[M+Na-2H]- 261.085676 152.0
[M]+ 240.11046142 149.5
[M]- 240.11155858 149.5
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