CID 474652

7-benzoyl-1-(2-chloro-6-fluorophenyl)-1h,3h-thiazolo[3,4-a]benzimidazole

Structural Information

Molecular Formula
C22H14ClFN2OS
SMILES
C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)F)C=C(C=C3)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C22H14ClFN2OS/c23-15-7-4-8-16(24)20(15)22-26-18-11-14(21(27)13-5-2-1-3-6-13)9-10-17(18)25-19(26)12-28-22/h1-11,22H,12H2
InChIKey
PIKJTRUKJNDFLF-UHFFFAOYSA-N
Compound name
[1-(2-chloro-6-fluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazol-7-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.04993 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.05721 195.2
[M+Na]+ 431.03915 208.1
[M-H]- 407.04265 204.5
[M+NH4]+ 426.08375 210.7
[M+K]+ 447.01309 199.5
[M+H-H2O]+ 391.04719 186.8
[M+HCOO]- 453.04813 205.8
[M+CH3COO]- 467.06378 206.1
[M+Na-2H]- 429.02460 192.8
[M]+ 408.04938 201.1
[M]- 408.05048 201.1
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.