CID 11580233

Schembl6020678

Structural Information

Molecular Formula
C11H15N5O5
SMILES
C[C@]1([C@@H]([C@H](O[C@H]1N2C=CN3C2=NC(=NC3=O)N)CO)O)O
InChI
InChI=1S/C11H15N5O5/c1-11(20)6(18)5(4-17)21-7(11)15-2-3-16-9(15)13-8(12)14-10(16)19/h2-3,5-7,17-18,20H,4H2,1H3,(H2,12,14,19)/t5-,6-,7-,11-/m1/s1
InChIKey
HXVBGUWASXWBBU-OJKLQORTSA-N
Compound name
2-amino-8-[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

297.10733 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 163.0
[M+Na]+ 320.09655 174.6
[M-H]- 296.10005 164.3
[M+NH4]+ 315.14115 176.3
[M+K]+ 336.07049 171.6
[M+H-H2O]+ 280.10459 156.3
[M+HCOO]- 342.10553 179.0
[M+CH3COO]- 356.12118 174.1
[M+Na-2H]- 318.08200 165.2
[M]+ 297.10678 165.0
[M]- 297.10788 165.0
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