CID 591290

Chembl3245955

Structural Information

Molecular Formula

C₁₁H₁₄N₄O₂

SMILES

C1CCOC(C1)N2C=NC3=C2C(=O)NC(=C3)N

InChI

InChI=1S/C11H14N4O2/c12-8-5-7-10(11(16)14-8)15(6-13-7)9-3-1-2-4-17-9/h5-6,9H,1-4H2,(H3,12,14,16)

InChIKey

RQWDXVGZTCQZIP-UHFFFAOYSA-N

Compound name

6-amino-3-(oxan-2-yl)-5H-imidazo[4,5-c]pyridin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 234.11168 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]+	235.11896	150.4
[M+Na]+	257.10090	159.5
[M-H]-	233.10440	153.4
[M+NH4]+	252.14550	164.5
[M+K]+	273.07484	155.6
[M+H-H2O]+	217.10894	141.7
[M+HCOO]-	279.10988	168.1
[M+CH3COO]-	293.12553	161.9
[M+Na-2H]-	255.08635	155.6
[M]+	234.11113	147.2
[M]-	234.11223	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe