CID 12429097

71703-04-3

Structural Information

Molecular Formula
C7H8N4O
SMILES
CN1C2=C(C(=NC=C2)N)NC1=O
InChI
InChI=1S/C7H8N4O/c1-11-4-2-3-9-6(8)5(4)10-7(11)12/h2-3H,1H3,(H2,8,9)(H,10,12)
InChIKey
IIPWPPGQGGYWHW-UHFFFAOYSA-N
Compound name
4-amino-1-methyl-3H-imidazo[4,5-c]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

164.06981 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07709 130.7
[M+Na]+ 187.05903 143.8
[M+NH4]+ 182.10363 137.9
[M+K]+ 203.03297 140.5
[M-H]- 163.06253 130.9
[M+Na-2H]- 185.04448 136.3
[M]+ 164.06926 132.3
[M]- 164.07036 132.3
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

patents stripe