CID 22086934

3h,4h,5h,6h,7h-imidazo[4,5-c]pyridin-4-one

Structural Information

Molecular Formula
C6H7N3O
SMILES
C1CNC(=O)C2=C1NC=N2
InChI
InChI=1S/C6H7N3O/c10-6-5-4(1-2-7-6)8-3-9-5/h3H,1-2H2,(H,7,10)(H,8,9)
InChIKey
WXQGEEXSJLMRKY-UHFFFAOYSA-N
Compound name
1,5,6,7-tetrahydroimidazo[4,5-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

137.05891 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.066186 127.1
[M+Na]+ 160.048128 135.5
[M-H]- 136.051634 124.8
[M+NH4]+ 155.092733 146.1
[M+K]+ 176.022068 132.0
[M+H-H2O]+ 120.056170 120.1
[M+HCOO]- 182.057111 143.9
[M+CH3COO]- 196.072761 139.2
[M+Na-2H]- 158.033576 133.5
[M]+ 137.05836142 121.6
[M]- 137.05945858 121.6
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

patents stripe