CID 20784736

1h,4h,5h-pyrazolo[4,3-b]pyridin-5-one

Structural Information

Molecular Formula
C6H5N3O
SMILES
C1=CC(=O)NC2=C1NN=C2
InChI
InChI=1S/C6H5N3O/c10-6-2-1-4-5(8-6)3-7-9-4/h1-3H,(H,7,9)(H,8,10)
InChIKey
JKASUHLBAQPJRO-UHFFFAOYSA-N
Compound name
1,4-dihydropyrazolo[4,5-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

135.04326 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.050536 122.3
[M+Na]+ 158.032478 134.0
[M-H]- 134.035984 121.2
[M+NH4]+ 153.077083 141.9
[M+K]+ 174.006418 129.6
[M+H-H2O]+ 118.040520 115.6
[M+HCOO]- 180.041461 143.5
[M+CH3COO]- 194.057111 136.2
[M+Na-2H]- 156.017926 132.0
[M]+ 135.04271142 121.2
[M]- 135.04380858 121.2
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

patents stripe