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

3
Patents

240.11101 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11829 151.8
[M+Na]+ 263.10023 161.0
[M-H]- 239.10373 152.8
[M+NH4]+ 258.14483 167.0
[M+K]+ 279.07417 156.6
[M+H-H2O]+ 223.10827 145.1
[M+HCOO]- 285.10921 169.0
[M+CH3COO]- 299.12486 184.6
[M+Na-2H]- 261.08568 152.0
[M]+ 240.11046 149.5
[M]- 240.11156 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.