CID 5272825

2,4(1h,3h)-pyrimidinedione, 3-(hydroxyamino)-5-methyl-1-[(2r,5s)-tetrahydro-5-(hydroxymethyl)-2-furanyl]-

Structural Information

Molecular Formula
C10H15N3O5
SMILES
CC1=CN(C(=O)N(C1=O)NO)[C@H]2CC[C@H](O2)CO
InChI
InChI=1S/C10H15N3O5/c1-6-4-12(8-3-2-7(5-14)18-8)10(16)13(11-17)9(6)15/h4,7-8,11,14,17H,2-3,5H2,1H3/t7-,8+/m0/s1
InChIKey
YEBZITUBENEMAE-JGVFFNPUSA-N
Compound name
3-(hydroxyamino)-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

257.10117 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.108446 153.8
[M+Na]+ 280.090388 162.8
[M-H]- 256.093894 157.0
[M+NH4]+ 275.134993 167.3
[M+K]+ 296.064328 160.9
[M+H-H2O]+ 240.098430 146.4
[M+HCOO]- 302.099371 173.1
[M+CH3COO]- 316.115021 191.7
[M+Na-2H]- 278.075836 156.3
[M]+ 257.10062142 154.4
[M]- 257.10171858 154.4
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

No patent data available for this compound.