CID 3054232

Brn 5069022

Structural Information

Molecular Formula
C12H9ClN4O
SMILES
CN1C2=C(N=C(C=C2)Cl)N(C1=O)C3=CC=CC=N3
InChI
InChI=1S/C12H9ClN4O/c1-16-8-5-6-9(13)15-11(8)17(12(16)18)10-4-2-3-7-14-10/h2-7H,1H3
InChIKey
ILCIQRQBMKXHBU-UHFFFAOYSA-N
Compound name
5-chloro-1-methyl-3-pyridin-2-ylimidazo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.04648 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05376 155.1
[M+Na]+ 283.03570 169.5
[M-H]- 259.03920 158.6
[M+NH4]+ 278.08030 170.5
[M+K]+ 299.00964 162.8
[M+H-H2O]+ 243.04374 145.6
[M+HCOO]- 305.04468 172.1
[M+CH3COO]- 319.06033 168.2
[M+Na-2H]- 281.02115 161.5
[M]+ 260.04593 160.5
[M]- 260.04703 160.5
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