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]+ 240.09788 150.0
[M+Na]+ 262.07982 160.7
[M-H]- 238.08332 154.4
[M+NH4]+ 257.12442 164.8
[M+K]+ 278.05376 158.4
[M+H-H2O]+ 222.08786 142.5
[M+HCOO]- 284.08880 171.4
[M+CH3COO]- 298.10445 190.7
[M+Na-2H]- 260.06527 152.6
[M]+ 239.09005 151.4
[M]- 239.09115 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.