CID 65932

Ledazerol

Structural Information

Molecular Formula

C₁₁H₁₂N₂O₂

SMILES

C1=CC(=C(C(=C1)CO)O)CC2=CN=CN2

InChI

InChI=1S/C11H12N2O2/c14-6-9-3-1-2-8(11(9)15)4-10-5-12-7-13-10/h1-3,5,7,14-15H,4,6H2,(H,12,13)

InChIKey

PGVXBSSEVQUMQM-UHFFFAOYSA-N

Compound name

2-(hydroxymethyl)-6-(1H-imidazol-5-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 114
Patents: 204.08987 Da
Monoisotopic Mass: 1.3
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]+	205.097146	143.9
[M+Na]+	227.079088	152.2
[M-H]-	203.082594	144.5
[M+NH4]+	222.123693	160.1
[M+K]+	243.053028	147.3
[M+H-H2O]+	187.087130	136.6
[M+HCOO]-	249.088071	163.4
[M+CH3COO]-	263.103721	177.1
[M+Na-2H]-	225.064536	148.2
[M]+	204.08932142	141.8
[M]-	204.09041858	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe