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]+ 235.126336 151.8
[M+Na]+ 257.108278 162.5
[M-H]- 233.111784 153.0
[M+NH4]+ 252.152883 170.8
[M+K]+ 273.082218 156.3
[M+H-H2O]+ 217.116320 145.4
[M+HCOO]- 279.117261 168.3
[M+CH3COO]- 293.132911 164.2
[M+Na-2H]- 255.093726 154.3
[M]+ 234.11851142 155.9
[M]- 234.11960858 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