CID 3340109

1-ethyl-3-methyl-1,3-dihydro-2h-benzimidazole-2-thione

Structural Information

Molecular Formula
C10H12N2S
SMILES
CCN1C2=CC=CC=C2N(C1=S)C
InChI
InChI=1S/C10H12N2S/c1-3-12-9-7-5-4-6-8(9)11(2)10(12)13/h4-7H,3H2,1-2H3
InChIKey
BLNDCZVBFRVGCN-UHFFFAOYSA-N
Compound name
1-ethyl-3-methylbenzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

192.07211 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.079386 137.9
[M+Na]+ 215.061328 151.3
[M-H]- 191.064834 141.5
[M+NH4]+ 210.105933 159.6
[M+K]+ 231.035268 146.8
[M+H-H2O]+ 175.069370 132.1
[M+HCOO]- 237.070311 156.9
[M+CH3COO]- 251.085961 152.7
[M+Na-2H]- 213.046776 141.6
[M]+ 192.07156142 143.3
[M]- 192.07265858 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe