CID 4349882

2h-benzimidazole-2-thione, 1-hexyl-1,3-dihydro-

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

11
Patents

234.11906 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.12634 151.8
[M+Na]+ 257.10828 162.5
[M-H]- 233.11178 153.0
[M+NH4]+ 252.15288 170.8
[M+K]+ 273.08222 156.3
[M+H-H2O]+ 217.11632 145.4
[M+HCOO]- 279.11726 168.3
[M+CH3COO]- 293.13291 164.2
[M+Na-2H]- 255.09373 154.3
[M]+ 234.11851 155.9
[M]- 234.11961 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe