CID 454739

3nh-d4t

Structural Information

Molecular Formula
C10H13N3O4
SMILES
CC1=CN(C(=O)N(C1=O)N)[C@H]2C=C[C@H](O2)CO
InChI
InChI=1S/C10H13N3O4/c1-6-4-12(10(16)13(11)9(6)15)8-3-2-7(5-14)17-8/h2-4,7-8,14H,5,11H2,1H3/t7-,8+/m0/s1
InChIKey
BJCXWTIHTAJWGI-JGVFFNPUSA-N
Compound name
3-amino-1-[(2R,5S)-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0906 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.097876 150.0
[M+Na]+ 262.079818 160.7
[M-H]- 238.083324 154.4
[M+NH4]+ 257.124423 164.8
[M+K]+ 278.053758 158.4
[M+H-H2O]+ 222.087860 142.5
[M+HCOO]- 284.088801 171.4
[M+CH3COO]- 298.104451 190.7
[M+Na-2H]- 260.065266 152.6
[M]+ 239.09005142 151.4
[M]- 239.09114858 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.