CID 361180

136994-87-1

Structural Information

Molecular Formula
C15H11ClN2S
SMILES
C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C15H11ClN2S/c16-11-7-5-10(6-8-11)15-18-13-4-2-1-3-12(13)17-14(18)9-19-15/h1-8,15H,9H2
InChIKey
IKOAISDPONXJQG-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.03314 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.04042 163.2
[M+Na]+ 309.02236 176.8
[M-H]- 285.02586 170.7
[M+NH4]+ 304.06696 184.2
[M+K]+ 324.99630 169.9
[M+H-H2O]+ 269.03040 157.0
[M+HCOO]- 331.03134 176.7
[M+CH3COO]- 345.04699 176.6
[M+Na-2H]- 307.00781 165.0
[M]+ 286.03259 169.1
[M]- 286.03369 169.1
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.