CID 362622

Nsc626763

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.