CID 478560

Schembl13787731

Structural Information

Molecular Formula
C10H14N6O4
SMILES
CNC1=C2C(=NN=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C10H14N6O4/c1-11-8-5-9(14-15-13-8)16(3-12-5)10-7(19)6(18)4(2-17)20-10/h3-4,6-7,10,17-19H,2H2,1H3,(H,11,13,14)/t4-,6-,7-,10-/m1/s1
InChIKey
MWKFBPAEELALEN-KQYNXXCUSA-N
Compound name
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[4-(methylamino)imidazo[4,5-d]triazin-7-yl]oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

282.10767 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11495 161.7
[M+Na]+ 305.09689 171.9
[M-H]- 281.10039 161.7
[M+NH4]+ 300.14149 172.3
[M+K]+ 321.07083 168.9
[M+H-H2O]+ 265.10493 153.4
[M+HCOO]- 327.10587 177.0
[M+CH3COO]- 341.12152 172.0
[M+Na-2H]- 303.08234 164.1
[M]+ 282.10712 163.2
[M]- 282.10822 163.2
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