CID 396041

Nsc701313

Structural Information

Molecular Formula
C16H12Cl2N2OS
SMILES
COC1=CC2=C(C=C1)N=C3N2C(SC3)C4=C(C=CC=C4Cl)Cl
InChI
InChI=1S/C16H12Cl2N2OS/c1-21-9-5-6-12-13(7-9)20-14(19-12)8-22-16(20)15-10(17)3-2-4-11(15)18/h2-7,16H,8H2,1H3
InChIKey
CNSSBTHBGFLIDJ-UHFFFAOYSA-N
Compound name
1-(2,6-dichlorophenyl)-7-methoxy-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.00473 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.01201 179.1
[M+Na]+ 372.99395 193.5
[M-H]- 348.99745 186.2
[M+NH4]+ 368.03855 198.1
[M+K]+ 388.96789 186.4
[M+H-H2O]+ 333.00199 173.3
[M+HCOO]- 395.00293 187.0
[M+CH3COO]- 409.01858 191.4
[M+Na-2H]- 370.97940 178.3
[M]+ 350.00418 188.2
[M]- 350.00528 188.2
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.