CID 234954

Zinc di(benzimidazol-2-yl) disulphide

Structural Information

Molecular Formula
C14H10N4S2
SMILES
C1=CC=C2C(=C1)NC(=N2)SSC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C14H10N4S2/c1-2-6-10-9(5-1)15-13(16-10)19-20-14-17-11-7-3-4-8-12(11)18-14/h1-8H,(H,15,16)(H,17,18)
InChIKey
WKDCYKWOTYBIPG-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yldisulfanyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

411
Patents

298.0347 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.04198 158.7
[M+Na]+ 321.02392 173.7
[M-H]- 297.02742 161.8
[M+NH4]+ 316.06852 175.1
[M+K]+ 336.99786 165.4
[M+H-H2O]+ 281.03196 153.6
[M+HCOO]- 343.03290 170.1
[M+CH3COO]- 357.04855 170.9
[M+Na-2H]- 319.00937 162.0
[M]+ 298.03415 163.8
[M]- 298.03525 163.8
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