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]+ 258.10845 153.8
[M+Na]+ 280.09039 162.8
[M-H]- 256.09389 157.0
[M+NH4]+ 275.13499 167.3
[M+K]+ 296.06433 160.9
[M+H-H2O]+ 240.09843 146.4
[M+HCOO]- 302.09937 173.1
[M+CH3COO]- 316.11502 191.7
[M+Na-2H]- 278.07584 156.3
[M]+ 257.10062 154.4
[M]- 257.10172 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.