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]+ 258.108446 154.9
[M+Na]+ 280.090388 163.7
[M-H]- 256.093894 154.6
[M+NH4]+ 275.134993 168.2
[M+K]+ 296.064328 159.1
[M+H-H2O]+ 240.098430 148.2
[M+HCOO]- 302.099371 171.4
[M+CH3COO]- 316.115021 188.3
[M+Na-2H]- 278.075836 154.0
[M]+ 257.10062142 150.6
[M]- 257.10171858 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.