CID 3070172

2h-imidazo(4,5-b)pyridin-2-one, 1,3-dihydro-3-acetyl-, sodium salt

Structural Information

Molecular Formula
C8H9N3O2
SMILES
CC(=O)N1C2=C(C=CCN2)NC1=O
InChI
InChI=1S/C8H9N3O2/c1-5(12)11-7-6(10-8(11)13)3-2-4-9-7/h2-3,9H,4H2,1H3,(H,10,13)
InChIKey
GKEKUYSMJRGVKT-UHFFFAOYSA-N
Compound name
3-acetyl-4,5-dihydro-1H-imidazo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06947 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.076746 137.3
[M+Na]+ 202.058688 146.8
[M-H]- 178.062194 135.6
[M+NH4]+ 197.103293 155.0
[M+K]+ 218.032628 142.9
[M+H-H2O]+ 162.066730 130.4
[M+HCOO]- 224.067671 154.2
[M+CH3COO]- 238.083321 174.2
[M+Na-2H]- 200.044136 141.8
[M]+ 179.06892142 134.3
[M]- 179.07001858 134.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.