CID 3074548

2-(1-(2-chlorobenzimidazolyl))methyl-2,3-dihydrothiazolo(3,2-a)benzimidazole

Structural Information

Molecular Formula
C17H13ClN4S
SMILES
C1C(SC2=NC3=CC=CC=C3N21)CN4C5=CC=CC=C5N=C4Cl
InChI
InChI=1S/C17H13ClN4S/c18-16-19-12-5-1-3-7-14(12)21(16)9-11-10-22-15-8-4-2-6-13(15)20-17(22)23-11/h1-8,11H,9-10H2
InChIKey
XUAVTAGIEKFMBK-UHFFFAOYSA-N
Compound name
2-[(2-chlorobenzimidazol-1-yl)methyl]-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.05493 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.06221 173.4
[M+Na]+ 363.04415 190.7
[M+NH4]+ 358.08875 183.8
[M+K]+ 379.01809 184.4
[M-H]- 339.04765 177.9
[M+Na-2H]- 361.02960 180.3
[M]+ 340.05438 178.2
[M]- 340.05548 178.2
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.