CID 473661

1-(4-hydroxyamino-5-hydroxymethyltetrahydro-furan-2-yl)-5-methyl-1h-pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H15N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NO
InChI
InChI=1S/C10H15N3O5/c1-5-3-13(10(16)11-9(5)15)8-2-6(12-17)7(4-14)18-8/h3,6-8,12,14,17H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
InChIKey
KDOKAAQRHUPNAW-XLPZGREQSA-N
Compound name
1-[(2R,4S,5S)-4-(hydroxyamino)-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

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.108446 154.7
[M+Na]+ 280.090388 163.2
[M-H]- 256.093894 156.5
[M+NH4]+ 275.134993 167.3
[M+K]+ 296.064328 160.4
[M+H-H2O]+ 240.098430 147.4
[M+HCOO]- 302.099371 172.4
[M+CH3COO]- 316.115021 189.6
[M+Na-2H]- 278.075836 156.6
[M]+ 257.10062142 153.4
[M]- 257.10171858 153.4
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.