CID 9859433

114522-16-6

Structural Information

Molecular Formula
C8H14N4O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2CN=C(NC2=O)N)CO)O
InChI
InChI=1S/C8H14N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h4-6,13-14H,1-3H2,(H3,9,10,11,15)/t4-,5+,6+/m0/s1
InChIKey
LAOLDMMWVYDDID-KVQBGUIXSA-N
Compound name
6-amino-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,4-dihydro-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

203
Patents

230.1015 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.10878 152.0
[M+Na]+ 253.09072 158.4
[M-H]- 229.09422 151.0
[M+NH4]+ 248.13532 163.7
[M+K]+ 269.06466 155.9
[M+H-H2O]+ 213.09876 144.1
[M+HCOO]- 275.09970 165.2
[M+CH3COO]- 289.11535 183.8
[M+Na-2H]- 251.07617 152.3
[M]+ 230.10095 145.6
[M]- 230.10205 145.6
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.