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

literature stripe

Patent stripe

patents stripe