CID 469796

217321-95-4

Structural Information

Molecular Formula
C16H12Cl2N2S
SMILES
C[C@@H]1C2=NC3=CC=CC=C3N2[C@H](S1)C4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C16H12Cl2N2S/c1-9-15-19-12-7-2-3-8-13(12)20(15)16(21-9)14-10(17)5-4-6-11(14)18/h2-9,16H,1H3/t9-,16-/m1/s1
InChIKey
GYSSOCMPLXKVCE-JDNHERCYSA-N
Compound name
(1R,3R)-1-(2,6-dichlorophenyl)-3-methyl-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

334.00983 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.01711 176.3
[M+Na]+ 356.99905 191.1
[M-H]- 333.00255 183.4
[M+NH4]+ 352.04365 196.1
[M+K]+ 372.97299 183.2
[M+H-H2O]+ 317.00709 170.6
[M+HCOO]- 379.00803 184.0
[M+CH3COO]- 393.02368 188.8
[M+Na-2H]- 354.98450 175.2
[M]+ 334.00928 184.1
[M]- 334.01038 184.1
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.