CID 4349882

67624-30-0

Structural Information

Molecular Formula

C₁₃H₁₈N₂S

SMILES

CCCCCCN1C2=CC=CC=C2NC1=S

InChI

InChI=1S/C13H18N2S/c1-2-3-4-7-10-15-12-9-6-5-8-11(12)14-13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,14,16)

InChIKey

WFWILCAZZKHLLP-UHFFFAOYSA-N

Compound name

3-hexyl-1H-benzimidazole-2-thione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 234.11906 Da
Monoisotopic Mass: 3.7
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]+	235.12634	153.4
[M+Na]+	257.10828	166.7
[M+NH4]+	252.15288	162.1
[M+K]+	273.08222	158.1
[M-H]-	233.11178	155.0
[M+Na-2H]-	255.09373	158.5
[M]+	234.11851	156.2
[M]-	234.11961	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe