CID 469871

4-amino-1-(2,3-dideoxy-.beta.-d-glycero-pentofuranosyl)-pyrrolo[2,3-d]pyridazin-7-one

Structural Information

Molecular Formula
C11H14N4O3
SMILES
C1C[C@@H](O[C@@H]1CO)N2C=CC3=C2C(=O)NN=C3N
InChI
InChI=1S/C11H14N4O3/c12-10-7-3-4-15(9(7)11(17)14-13-10)8-2-1-6(5-16)18-8/h3-4,6,8,16H,1-2,5H2,(H2,12,13)(H,14,17)/t6-,8+/m0/s1
InChIKey
MNSVLORAGRQYDA-POYBYMJQSA-N
Compound name
4-amino-1-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-6H-pyrrolo[2,3-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

250.1066 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.11388 152.9
[M+Na]+ 273.09582 162.9
[M-H]- 249.09932 155.7
[M+NH4]+ 268.14042 167.9
[M+K]+ 289.06976 159.3
[M+H-H2O]+ 233.10386 145.6
[M+HCOO]- 295.10480 171.5
[M+CH3COO]- 309.12045 164.7
[M+Na-2H]- 271.08127 155.4
[M]+ 250.10605 152.1
[M]- 250.10715 152.1
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.