CID 827976

2-(5-methyl-2-furyl)benzimidazole

Structural Information

Molecular Formula

C₁₂H₁₀N₂O

SMILES

CC1=CC=C(O1)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C12H10N2O/c1-8-6-7-11(15-8)12-13-9-4-2-3-5-10(9)14-12/h2-7H,1H3,(H,13,14)

InChIKey

BLIMSOPINYXOID-UHFFFAOYSA-N

Compound name

2-(5-methylfuran-2-yl)-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 3
Patents: 198.07932 Da
Monoisotopic Mass: 2.6
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]+	199.086596	139.6
[M+Na]+	221.068538	151.0
[M-H]-	197.072044	145.3
[M+NH4]+	216.113143	159.2
[M+K]+	237.042478	147.6
[M+H-H2O]+	181.076580	132.9
[M+HCOO]-	243.077521	162.8
[M+CH3COO]-	257.093171	154.1
[M+Na-2H]-	219.053986	145.9
[M]+	198.07877142	142.0
[M]-	198.07986858	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe