CID 2082

Albendazole

Structural Information

Molecular Formula

C₁₂H₁₅N₃O₂S

SMILES

CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)OC

InChI

InChI=1S/C12H15N3O2S/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

HXHWSAZORRCQMX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 6417
References: 22662
Patents: 265.0885 Da
Monoisotopic Mass: 2.9
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]+	266.09578	159.1
[M+Na]+	288.07772	169.9
[M+NH4]+	283.12232	166.1
[M+K]+	304.05166	164.0
[M-H]-	264.08122	159.7
[M+Na-2H]-	286.06317	163.1
[M]+	265.08795	161.0
[M]-	265.08905	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe