CID 380673

1h-benzimidazol-2-yl 1h-benzimidazol-2-ylmethyl sulfide

Structural Information

Molecular Formula
C15H12N4S
SMILES
C1=CC=C2C(=C1)NC(=N2)CSC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C15H12N4S/c1-2-6-11-10(5-1)16-14(17-11)9-20-15-18-12-7-3-4-8-13(12)19-15/h1-8H,9H2,(H,16,17)(H,18,19)
InChIKey
ONMJBLRZULUDFX-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-ylmethylsulfanyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

280.07828 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08556 159.4
[M+Na]+ 303.06750 172.8
[M-H]- 279.07100 162.3
[M+NH4]+ 298.11210 175.7
[M+K]+ 319.04144 164.9
[M+H-H2O]+ 263.07554 152.3
[M+HCOO]- 325.07648 175.1
[M+CH3COO]- 339.09213 171.5
[M+Na-2H]- 301.05295 163.8
[M]+ 280.07773 163.3
[M]- 280.07883 163.3
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

No patent data available for this compound.