CID 9579545

1h-1,2,4-triazole-3-carbohydrazonamide, 1-.beta.-d-ribofuranosyl-

Structural Information

Molecular Formula
C8H14N6O4
SMILES
C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)/C(=N\N)/N
InChI
InChI=1S/C8H14N6O4/c9-6(12-10)7-11-2-14(13-7)8-5(17)4(16)3(1-15)18-8/h2-5,8,15-17H,1,10H2,(H2,9,12)/t3-,4-,5-,8-/m1/s1
InChIKey
FWFNCBACRNCTAD-AFCXAGJDSA-N
Compound name
N'-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.10767 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11495 154.5
[M+Na]+ 281.09689 160.8
[M-H]- 257.10039 155.8
[M+NH4]+ 276.14149 166.7
[M+K]+ 297.07083 159.7
[M+H-H2O]+ 241.10493 146.1
[M+HCOO]- 303.10587 173.4
[M+CH3COO]- 317.12152 196.3
[M+Na-2H]- 279.08234 154.4
[M]+ 258.10712 150.4
[M]- 258.10822 150.4
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

No patent data available for this compound.