CID 510037

1-ethyl-3-phenethyl-2h-benzimidazole-2-carbodithioic acid

Structural Information

Molecular Formula
C18H20N2S2
SMILES
CCN1C(N(C2=CC=CC=C21)CCC3=CC=CC=C3)C(=S)S
InChI
InChI=1S/C18H20N2S2/c1-2-19-15-10-6-7-11-16(15)20(17(19)18(21)22)13-12-14-8-4-3-5-9-14/h3-11,17H,2,12-13H2,1H3,(H,21,22)
InChIKey
LIPYNRBWRDKZOY-UHFFFAOYSA-N
Compound name
1-ethyl-3-(2-phenylethyl)-2H-benzimidazole-2-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.10678 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11406 174.0
[M+Na]+ 351.09600 183.2
[M-H]- 327.09950 178.8
[M+NH4]+ 346.14060 189.7
[M+K]+ 367.06994 176.1
[M+H-H2O]+ 311.10404 167.0
[M+HCOO]- 373.10498 182.8
[M+CH3COO]- 387.12063 184.3
[M+Na-2H]- 349.08145 171.7
[M]+ 328.10623 177.3
[M]- 328.10733 177.3
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

No patent data available for this compound.