CID 13792140

2126178-23-0

Structural Information

Molecular Formula

C₁₁H₁₄N₄O

SMILES

C1CNCCC1N2C3=C(C=CC=N3)NC2=O

InChI

InChI=1S/C11H14N4O/c16-11-14-9-2-1-5-13-10(9)15(11)8-3-6-12-7-4-8/h1-2,5,8,12H,3-4,6-7H2,(H,14,16)

InChIKey

LBSZQPOIIRAKEL-UHFFFAOYSA-N

Compound name

3-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 218.11676 Da
Monoisotopic Mass: 0.1
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]+	219.124036	148.5
[M+Na]+	241.105978	157.0
[M-H]-	217.109484	148.1
[M+NH4]+	236.150583	162.7
[M+K]+	257.079918	151.0
[M+H-H2O]+	201.114020	139.2
[M+HCOO]-	263.114961	163.5
[M+CH3COO]-	277.130611	158.9
[M+Na-2H]-	239.091426	153.6
[M]+	218.11621142	143.1
[M]-	218.11730858	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe