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

literature stripe

Patent stripe

patents stripe