CID 3080089

Benzamide, 3-(1h-imidazol-4-ylmethyl)-2-methoxy-, monohydrochloride

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₂

SMILES

COC1=C(C=CC=C1C(=O)N)CC2=CN=CN2

InChI

InChI=1S/C12H13N3O2/c1-17-11-8(5-9-6-14-7-15-9)3-2-4-10(11)12(13)16/h2-4,6-7H,5H2,1H3,(H2,13,16)(H,14,15)

InChIKey

WVXAMSQCLHWLHN-UHFFFAOYSA-N

Compound name

3-(1H-imidazol-5-ylmethyl)-2-methoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 231.10077 Da
Monoisotopic Mass: 0.9
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]+	232.108046	150.8
[M+Na]+	254.089988	158.6
[M-H]-	230.093494	153.7
[M+NH4]+	249.134593	166.5
[M+K]+	270.063928	154.8
[M+H-H2O]+	214.098030	142.6
[M+HCOO]-	276.098971	172.6
[M+CH3COO]-	290.114621	189.5
[M+Na-2H]-	252.075436	153.9
[M]+	231.10022142	149.8
[M]-	231.10131858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe