CID 84796021

4-hydroxy-1-(piperidin-4-yl)-2,3-dihydro-1h-1,3-benzodiazol-2-one hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₂

SMILES

C1CNCCC1N2C3=C(C(=CC=C3)O)NC2=O

InChI

InChI=1S/C12H15N3O2/c16-10-3-1-2-9-11(10)14-12(17)15(9)8-4-6-13-7-5-8/h1-3,8,13,16H,4-7H2,(H,14,17)

InChIKey

DTUIREQCTVNAJI-UHFFFAOYSA-N

Compound name

7-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 233.11642 Da
Monoisotopic Mass: 0.5
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]+	234.123696	151.6
[M+Na]+	256.105638	160.1
[M-H]-	232.109144	151.6
[M+NH4]+	251.150243	166.3
[M+K]+	272.079578	153.8
[M+H-H2O]+	216.113680	143.6
[M+HCOO]-	278.114621	166.5
[M+CH3COO]-	292.130271	162.0
[M+Na-2H]-	254.091086	155.4
[M]+	233.11587142	146.2
[M]-	233.11696858	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe