CID 512177

5-amino-1-[(1r,2s,3r,4r)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H15N3O5
SMILES
C1[C@@H]([C@H]([C@H]([C@@H]1N2C=C(C(=O)NC2=O)N)O)O)CO
InChI
InChI=1S/C10H15N3O5/c11-5-2-13(10(18)12-9(5)17)6-1-4(3-14)7(15)8(6)16/h2,4,6-8,14-16H,1,3,11H2,(H,12,17,18)/t4-,6-,7-,8+/m1/s1
InChIKey
YHOQZPXUKMYLCJ-JBBNEOJLSA-N
Compound name
5-amino-1-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.10117 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10845 154.9
[M+Na]+ 280.09039 163.7
[M-H]- 256.09389 154.6
[M+NH4]+ 275.13499 168.2
[M+K]+ 296.06433 159.1
[M+H-H2O]+ 240.09843 148.2
[M+HCOO]- 302.09937 171.4
[M+CH3COO]- 316.11502 188.3
[M+Na-2H]- 278.07584 154.0
[M]+ 257.10062 150.6
[M]- 257.10172 150.6
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

No patent data available for this compound.