CID 22752

Lobendazole

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₂

SMILES

CCOC(=O)NC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C10H11N3O2/c1-2-15-10(14)13-9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H2,11,12,13,14)

InChIKey

OKOVSTKGUBOSTB-UHFFFAOYSA-N

Compound name

ethyl N-(1H-benzimidazol-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 6
References: 765
Patents: 205.08513 Da
Monoisotopic Mass: 1.9
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]+	206.092406	142.1
[M+Na]+	228.074348	151.2
[M-H]-	204.077854	143.3
[M+NH4]+	223.118953	160.5
[M+K]+	244.048288	148.0
[M+H-H2O]+	188.082390	134.8
[M+HCOO]-	250.083331	165.1
[M+CH3COO]-	264.098981	183.0
[M+Na-2H]-	226.059796	149.6
[M]+	205.08458142	143.6
[M]-	205.08567858	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe