CID 6480444

67410-65-5

Structural Information

Molecular Formula
C10H13N5O5
SMILES
C1=CN2C(=NC(=NC2=O)N)N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H13N5O5/c11-8-12-9-14(1-2-15(9)10(19)13-8)7-6(18)5(17)4(3-16)20-7/h1-2,4-7,16-18H,3H2,(H2,11,13,19)/t4-,5-,6-,7-/m1/s1
InChIKey
ZQUTYCUKRGSIGL-DBRKOABJSA-N
Compound name
2-amino-8-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

10
Patents

283.09167 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.09895 160.2
[M+Na]+ 306.08089 171.3
[M-H]- 282.08439 161.4
[M+NH4]+ 301.12549 172.0
[M+K]+ 322.05483 168.2
[M+H-H2O]+ 266.08893 152.9
[M+HCOO]- 328.08987 176.4
[M+CH3COO]- 342.10552 171.2
[M+Na-2H]- 304.06634 161.3
[M]+ 283.09112 161.4
[M]- 283.09222 161.4
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.