CID 469869

Chembl3143586

Structural Information

Molecular Formula
C11H14N4O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=CC3=C2C(=O)NN=C3N)CO)O
InChI
InChI=1S/C11H14N4O4/c12-10-5-1-2-15(9(5)11(18)14-13-10)8-3-6(17)7(4-16)19-8/h1-2,6-8,16-17H,3-4H2,(H2,12,13)(H,14,18)/t6-,7+,8+/m0/s1
InChIKey
JTZFHXFGMOLRLE-XLPZGREQSA-N
Compound name
4-amino-1-[(2R,4S,5R)-4-hydroxy-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

266.1015 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.108776 156.6
[M+Na]+ 289.090718 166.7
[M-H]- 265.094224 158.4
[M+NH4]+ 284.135323 170.3
[M+K]+ 305.064658 162.9
[M+H-H2O]+ 249.098760 149.6
[M+HCOO]- 311.099701 173.8
[M+CH3COO]- 325.115351 167.8
[M+Na-2H]- 287.076166 158.1
[M]+ 266.10095142 155.8
[M]- 266.10204858 155.8
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.