CID 170311

Dribendazole

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₂S

SMILES

COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3CCCCC3

InChI

InChI=1S/C15H19N3O2S/c1-20-15(19)18-14-16-12-8-7-11(9-13(12)17-14)21-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,16,17,18,19)

InChIKey

LRPJFWDUBNJJKE-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 305.1198 Da
Monoisotopic Mass: 3.8
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]+	306.12708	167.8
[M+Na]+	328.10902	174.3
[M-H]-	304.11252	171.2
[M+NH4]+	323.15362	182.5
[M+K]+	344.08296	169.3
[M+H-H2O]+	288.11706	160.1
[M+HCOO]-	350.11800	181.4
[M+CH3COO]-	364.13365	177.7
[M+Na-2H]-	326.09447	169.2
[M]+	305.11925	167.4
[M]-	305.12035	167.4

Literature stripe

literature stripe

Patent stripe

patents stripe