CID 59568642

1-cyclohexyl-1h,2h,3h-imidazo[4,5-b]pyridin-2-one

Structural Information

Molecular Formula
C12H15N3O
SMILES
C1CCC(CC1)N2C3=C(NC2=O)N=CC=C3
InChI
InChI=1S/C12H15N3O/c16-12-14-11-10(7-4-8-13-11)15(12)9-5-2-1-3-6-9/h4,7-9H,1-3,5-6H2,(H,13,14,16)
InChIKey
RXPGJEKERBHADP-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

217.1215 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.128776 147.5
[M+Na]+ 240.110718 156.0
[M-H]- 216.114224 149.7
[M+NH4]+ 235.155323 163.9
[M+K]+ 256.084658 150.8
[M+H-H2O]+ 200.118760 138.6
[M+HCOO]- 262.119701 165.1
[M+CH3COO]- 276.135351 159.0
[M+Na-2H]- 238.096166 152.7
[M]+ 217.12095142 143.7
[M]- 217.12204858 143.7
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