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]+ 180.07675 137.3
[M+Na]+ 202.05869 146.8
[M-H]- 178.06219 135.6
[M+NH4]+ 197.10329 155.0
[M+K]+ 218.03263 142.9
[M+H-H2O]+ 162.06673 130.4
[M+HCOO]- 224.06767 154.2
[M+CH3COO]- 238.08332 174.2
[M+Na-2H]- 200.04414 141.8
[M]+ 179.06892 134.3
[M]- 179.07002 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.