CID 362003

Nsc625482

Structural Information

Molecular Formula
C15H10Cl2N2S
SMILES
C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C15H10Cl2N2S/c16-9-4-3-5-10(17)14(9)15-19-12-7-2-1-6-11(12)18-13(19)8-20-15/h1-7,15H,8H2
InChIKey
NHXWVKNHPDSLDA-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

8
Patents

319.99417 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.00145 171.3
[M+Na]+ 342.98339 185.8
[M-H]- 318.98689 178.2
[M+NH4]+ 338.02799 191.4
[M+K]+ 358.95733 178.1
[M+H-H2O]+ 302.99143 165.5
[M+HCOO]- 364.99237 179.4
[M+CH3COO]- 379.00802 184.0
[M+Na-2H]- 340.96884 171.4
[M]+ 319.99362 178.4
[M]- 319.99472 178.4
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