CID 59568642

906532-83-0

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	218.12878	148.0
[M+Na]+	240.11072	161.6
[M+NH4]+	235.15532	156.1
[M+K]+	256.08466	156.3
[M-H]-	216.11422	150.3
[M+Na-2H]-	238.09617	154.9
[M]+	217.12095	150.4
[M]-	217.12205	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe