CID 4622

Oxibendazole

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₃

SMILES

CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC

InChI

InChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)

InChIKey

RAOCRURYZCVHMG-UHFFFAOYSA-N

Compound name

methyl N-(6-propoxy-1H-benzimidazol-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 123
References: 6456
Patents: 249.11134 Da
Monoisotopic Mass: 2.4
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]+	250.11862	155.1
[M+Na]+	272.10056	166.0
[M+NH4]+	267.14516	161.2
[M+K]+	288.07450	162.8
[M-H]-	248.10406	155.0
[M+Na-2H]-	270.08601	159.4
[M]+	249.11079	156.3
[M]-	249.11189	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe