CID 3080085

N,n-dimethyl-2-hydroxy-3-(1h-imidazol-4-ylmethyl)benzamide

Structural Information

Molecular Formula

C₁₃H₁₅N₃O₂

SMILES

CN(C)C(=O)C1=CC=CC(=C1O)CC2=CN=CN2

InChI

InChI=1S/C13H15N3O2/c1-16(2)13(18)11-5-3-4-9(12(11)17)6-10-7-14-8-15-10/h3-5,7-8,17H,6H2,1-2H3,(H,14,15)

InChIKey

ASILEQFPRKFMKK-UHFFFAOYSA-N

Compound name

2-hydroxy-3-(1H-imidazol-5-ylmethyl)-N,N-dimethylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 245.11642 Da
Monoisotopic Mass: 1.7
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]+	246.123696	155.6
[M+Na]+	268.105638	162.7
[M-H]-	244.109144	158.9
[M+NH4]+	263.150243	171.0
[M+K]+	284.079578	159.6
[M+H-H2O]+	228.113680	147.3
[M+HCOO]-	290.114621	176.7
[M+CH3COO]-	304.130271	193.3
[M+Na-2H]-	266.091086	157.9
[M]+	245.11587142	155.2
[M]-	245.11696858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe