CID 478561

4-hydrazino-7-(.beta.-d-ribofuranosyl)imidazo[4,5-d][1,2,3]triazine

Structural Information

Molecular Formula
C9H13N7O4
SMILES
C1=NC2=C(N=NN=C2N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NN
InChI
InChI=1S/C9H13N7O4/c10-12-7-4-8(14-15-13-7)16(2-11-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1,10H2,(H,12,13,14)/t3-,5-,6-,9-/m1/s1
InChIKey
JGVPYTUKZMLLPF-UUOKFMHZSA-N
Compound name
(2R,3R,4S,5R)-2-(4-hydrazinylimidazo[4,5-d]triazin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.1029 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.11018 159.7
[M+Na]+ 306.09212 169.3
[M-H]- 282.09562 159.5
[M+NH4]+ 301.13672 169.6
[M+K]+ 322.06606 166.3
[M+H-H2O]+ 266.10016 151.2
[M+HCOO]- 328.10110 175.7
[M+CH3COO]- 342.11675 169.6
[M+Na-2H]- 304.07757 162.6
[M]+ 283.10235 159.3
[M]- 283.10345 159.3
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

No patent data available for this compound.