CID 469873

Chembl166984

Structural Information

Molecular Formula
C10H14N4O4
SMILES
C1=CN(C2=C1C(=NNC2=O)N)COC(CO)CO
InChI
InChI=1S/C10H14N4O4/c11-9-7-1-2-14(5-18-6(3-15)4-16)8(7)10(17)13-12-9/h1-2,6,15-16H,3-5H2,(H2,11,12)(H,13,17)
InChIKey
CTIJEMYYTVXRPJ-UHFFFAOYSA-N
Compound name
4-amino-1-(1,3-dihydroxypropan-2-yloxymethyl)-6H-pyrrolo[2,3-d]pyridazin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

254.1015 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10878 153.2
[M+Na]+ 277.09072 162.5
[M-H]- 253.09422 150.5
[M+NH4]+ 272.13532 166.8
[M+K]+ 293.06466 158.5
[M+H-H2O]+ 237.09876 145.7
[M+HCOO]- 299.09970 171.4
[M+CH3COO]- 313.11535 189.2
[M+Na-2H]- 275.07617 157.4
[M]+ 254.10095 154.3
[M]- 254.10205 154.3
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.