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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.