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 177.8
[M+Na]+ 363.04415 193.6
[M-H]- 339.04765 184.9
[M+NH4]+ 358.08875 196.9
[M+K]+ 379.01809 186.6
[M+H-H2O]+ 323.05219 171.0
[M+HCOO]- 385.05313 190.3
[M+CH3COO]- 399.06878 190.5
[M+Na-2H]- 361.02960 177.6
[M]+ 340.05438 187.0
[M]- 340.05548 187.0
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.