CID 66944285

163521-56-0

Structural Information

Molecular Formula
C8H10F2N4O4
SMILES
C1=NC(=NC(=O)N1[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F)N
InChI
InChI=1S/C8H10F2N4O4/c9-8(10)4(16)3(1-15)18-5(8)14-2-12-6(11)13-7(14)17/h2-5,15-16H,1H2,(H2,11,13,17)/t3-,4-,5-/m1/s1
InChIKey
GQGVBSHMRYHBTF-UOWFLXDJSA-N
Compound name
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1331
Patents

264.06702 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07430 154.8
[M+Na]+ 287.05624 162.8
[M+NH4]+ 282.10084 158.9
[M+K]+ 303.03018 161.1
[M-H]- 263.05974 152.3
[M+Na-2H]- 285.04169 157.1
[M]+ 264.06647 154.6
[M]- 264.06757 154.6
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